3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide

C58H63N19O9 — CID 162112103

IUPAC3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnccn3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3nccnc3N)cc2)no1.Cc1cnc(C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)cn1
InChIInChI=1S/C20H22N6O3.C19H21N7O3.C19H20N6O3/c1-12-10-22-15(11-21-12)18(27)23-13-5-7-14(8-6-13)24-19(28)25-17-9-16(29-26-17)20(2,3)4;1-19(2,3)13-10-14(26-29-13)25-18(28)24-12-6-4-11(5-7-12)23-17(27)15-16(20)22-9-8-21-15;1-19(2,3)15-10-16(25-28-15)24-18(27)23-13-6-4-12(5-7-13)22-17(26)14-11-20-8-9-21-14/h5-11H,1-4H3,(H,23,27)(H2,24,25,26,28);4-10H,1-3H3,(H2,20,22)(H,23,27)(H2,24,25,26,28);4-11H,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyZGHBNSNMCUMJPQ-UHFFFAOYSA-N
MW1170.27 g/mol
LogP10.87
Rot. Bonds12

About 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide

3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide (PubChem CID 162112103) has the molecular formula C58H63N19O9 and a molecular weight of 1170.27 g/mol. Its IUPAC name is 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide
PubChem CID162112103
Molecular FormulaC58H63N19O9
Molecular Weight1170.27 g/mol
Exact Mass1169.51
IUPAC Name3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnccn3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3nccnc3N)cc2)no1.Cc1cnc(C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)cn1
InChIInChI=1S/C20H22N6O3.C19H21N7O3.C19H20N6O3/c1-12-10-22-15(11-21-12)18(27)23-13-5-7-14(8-6-13)24-19(28)25-17-9-16(29-26-17)20(2,3)4;1-19(2,3)13-10-14(26-29-13)25-18(28)24-12-6-4-11(5-7-12)23-17(27)15-16(20)22-9-8-21-15;1-19(2,3)15-10-16(25-28-15)24-18(27)23-13-6-4-12(5-7-13)22-17(26)14-11-20-8-9-21-14/h5-11H,1-4H3,(H,23,27)(H2,24,25,26,28);4-10H,1-3H3,(H2,20,22)(H,23,27)(H2,24,25,26,28);4-11H,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyZGHBNSNMCUMJPQ-UHFFFAOYSA-N
XLogP10.87
TPSA392.14 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001170.27
LogP ≤ 510.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Analyze 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
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N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]thiadiazole-4-carboxamide
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1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[(3-methyl-4-pyridinyl)sulfanyl]phenyl]urea
CID 25015898
6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide
CID 54760984
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide
CID 59381180
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide
CID 59380981
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 54761333
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 54760981
5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-methylsulfanylpyridine-4-carboxamide
CID 59402616

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide (CID 162112103) is 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cnccn3)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3nccnc3N)cc2)no1.Cc1cnc(C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)cn1.
What is the InChIKey of 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide?
The InChIKey is ZGHBNSNMCUMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3.C19H21N7O3.C19H20N6O3/c1-12-10-22-15(11-21-12)18(27)23-13-5-7-14(8-6-13)24-19(28)25-17-9-16(29-26-17)20(2,3)4;1-19(2,3)13-10-14(26-29-13)25-18(28)24-12-6-4-11(5-7-12)23-17(27)15-16(20)22-9-8-21-15;1-19(2,3)15-10-16(25-28-15)24-18(27)23-13-6-4-12(5-7-13)22-17(26)14-11-20-8-9-21-14/h5-11H,1-4H3,(H,23,27)(H2,24,25,26,28);4-10H,1-3H3,(H2,20,22)(H,23,27)(H2,24,25,26,28);4-11H,1-3H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide?
3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide has a molecular weight of 1170.27 g/mol, XLogP of 10.87, 12 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyrazine-2-carboxamide;N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 162112103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).