3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide

C21H28N4O3 — CID 110609669

IUPAC3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H28N4O3/c1-14-17(18(23-28-14)21(2,3)4)19(26)22-16-8-6-15(7-9-16)20(27)25-12-10-24(5)11-13-25/h6-9H,10-13H2,1-5H3,(H,22,26)
InChIKeyHVLFXFCPBZDTSO-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.92
Rot. Bonds3

About 3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide

3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 110609669) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID110609669
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H28N4O3/c1-14-17(18(23-28-14)21(2,3)4)19(26)22-16-8-6-15(7-9-16)20(27)25-12-10-24(5)11-13-25/h6-9H,10-13H2,1-5H3,(H,22,26)
InChIKeyHVLFXFCPBZDTSO-UHFFFAOYSA-N
XLogP2.92
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424690
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 110613763
3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide
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N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619649
3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide
CID 110608030
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
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N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
3-tert-butyl-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110423356
3-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110421424

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide (CID 110609669) is 3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(C(C)(C)C)c1C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is HVLFXFCPBZDTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-14-17(18(23-28-14)21(2,3)4)19(26)22-16-8-6-15(7-9-16)20(27)25-12-10-24(5)11-13-25/h6-9H,10-13H2,1-5H3,(H,22,26).
What are the key properties of 3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide?
3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110609669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).