N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide

C28H35N5O5 — CID 59420539

IUPACN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide
SMILESCOc1cc(OC)nc(C2CCCCC2C(=O)Nc2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1
InChIInChI=1S/C28H35N5O5/c1-28(2,3)21-15-22(33-38-21)30-23(34)14-17-10-12-18(13-11-17)29-27(35)20-9-7-6-8-19(20)26-31-24(36-4)16-25(32-26)37-5/h10-13,15-16,19-20H,6-9,14H2,1-5H3,(H,29,35)(H,30,33,34)
InChIKeyOHXPADFBSTVVBA-UHFFFAOYSA-N
MW521.62 g/mol
LogP4.87
Rot. Bonds8

About N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide

N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide (PubChem CID 59420539) has the molecular formula C28H35N5O5 and a molecular weight of 521.62 g/mol. Its IUPAC name is N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide
PubChem CID59420539
Molecular FormulaC28H35N5O5
Molecular Weight521.62 g/mol
Exact Mass521.26
IUPAC NameN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide
SMILESCOc1cc(OC)nc(C2CCCCC2C(=O)Nc2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1
InChIInChI=1S/C28H35N5O5/c1-28(2,3)21-15-22(33-38-21)30-23(34)14-17-10-12-18(13-11-17)29-27(35)20-9-7-6-8-19(20)26-31-24(36-4)16-25(32-26)37-5/h10-13,15-16,19-20H,6-9,14H2,1-5H3,(H,29,35)(H,30,33,34)
InChIKeyOHXPADFBSTVVBA-UHFFFAOYSA-N
XLogP4.87
TPSA128.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.62
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59420709
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 66967674
3-bromo-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]benzamide
CID 59420609
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 17087461
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 54761700
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 54760630
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzamide
CID 59380944
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea
CID 59381112
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
CID 143053328
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 54760627

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide (CID 59420539) is N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide is COc1cc(OC)nc(C2CCCCC2C(=O)Nc2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1.
What is the InChIKey of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide?
The InChIKey is OHXPADFBSTVVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O5/c1-28(2,3)21-15-22(33-38-21)30-23(34)14-17-10-12-18(13-11-17)29-27(35)20-9-7-6-8-19(20)26-31-24(36-4)16-25(32-26)37-5/h10-13,15-16,19-20H,6-9,14H2,1-5H3,(H,29,35)(H,30,33,34).
What are the key properties of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide?
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide has a molecular weight of 521.62 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 59420539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).