2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide

C26H29N5O4S — CID 3431250

IUPAC2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCC(c2nc(C(=O)NC3CCCCNC3=O)cs2)CC1
InChIInChI=1S/C26H29N5O4S/c1-16-21(22(30-35-16)17-7-3-2-4-8-17)26(34)31-13-10-18(11-14-31)25-29-20(15-36-25)24(33)28-19-9-5-6-12-27-23(19)32/h2-4,7-8,15,18-19H,5-6,9-14H2,1H3,(H,27,32)(H,28,33)
InChIKeyKLRIUKKDLAEYFV-UHFFFAOYSA-N
MW507.62 g/mol
LogP3.52
Rot. Bonds5

About 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide

2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 3431250) has the molecular formula C26H29N5O4S and a molecular weight of 507.62 g/mol. Its IUPAC name is 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID3431250
Molecular FormulaC26H29N5O4S
Molecular Weight507.62 g/mol
Exact Mass507.19
IUPAC Name2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCC(c2nc(C(=O)NC3CCCCNC3=O)cs2)CC1
InChIInChI=1S/C26H29N5O4S/c1-16-21(22(30-35-16)17-7-3-2-4-8-17)26(34)31-13-10-18(11-14-31)25-29-20(15-36-25)24(33)28-19-9-5-6-12-27-23(19)32/h2-4,7-8,15,18-19H,5-6,9-14H2,1H3,(H,27,32)(H,28,33)
InChIKeyKLRIUKKDLAEYFV-UHFFFAOYSA-N
XLogP3.52
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.62
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 4999773
N-(2,5-dimethylpyrazol-3-yl)-2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 4990009
2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 3856776
2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
CID 3866503
2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide
CID 3828876
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methanone
CID 3821424
ethyl 1-[2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate
CID 3849184
propan-2-yl 1-[2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 3438266
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118793666
2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
CID 23991965
2-benzyl-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
CID 70718250

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide (CID 3431250) is 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N1CCC(c2nc(C(=O)NC3CCCCNC3=O)cs2)CC1.
What is the InChIKey of 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is KLRIUKKDLAEYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4S/c1-16-21(22(30-35-16)17-7-3-2-4-8-17)26(34)31-13-10-18(11-14-31)25-29-20(15-36-25)24(33)28-19-9-5-6-12-27-23(19)32/h2-4,7-8,15,18-19H,5-6,9-14H2,1H3,(H,27,32)(H,28,33).
What are the key properties of 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide?
2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 507.62 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3431250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).