4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide

C22H24N4O3S — CID 171911097

IUPAC4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N[C@H](Cc1ccccc1)c1nc(C(=O)N2CCCCC2)co1
InChIInChI=1S/C22H24N4O3S/c1-15-19(30-14-23-15)20(27)24-17(12-16-8-4-2-5-9-16)21-25-18(13-29-21)22(28)26-10-6-3-7-11-26/h2,4-5,8-9,13-14,17H,3,6-7,10-12H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyWRBTVJBCYKASNL-QGZVFWFLSA-N
MW424.53 g/mol
LogP3.78
Rot. Bonds6

About 4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 171911097) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID171911097
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N[C@H](Cc1ccccc1)c1nc(C(=O)N2CCCCC2)co1
InChIInChI=1S/C22H24N4O3S/c1-15-19(30-14-23-15)20(27)24-17(12-16-8-4-2-5-9-16)21-25-18(13-29-21)22(28)26-10-6-3-7-11-26/h2,4-5,8-9,13-14,17H,3,6-7,10-12H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyWRBTVJBCYKASNL-QGZVFWFLSA-N
XLogP3.78
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 18072824
piperidin-1-yl-(2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 141385532
[2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 3853938
4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 96550906
2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119234033
ethyl 1-[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 3865870
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone
CID 3847869
N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide
CID 171911153
2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
CID 10127230
[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3859728
[4-methyl-1-oxo-1-[[1-oxo-4-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]butan-2-yl]amino]pentan-2-yl]carbamic acid
CID 91445442
5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 93140685

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide (CID 171911097) is 4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N[C@H](Cc1ccccc1)c1nc(C(=O)N2CCCCC2)co1.
What is the InChIKey of 4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WRBTVJBCYKASNL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-15-19(30-14-23-15)20(27)24-17(12-16-8-4-2-5-9-16)21-25-18(13-29-21)22(28)26-10-6-3-7-11-26/h2,4-5,8-9,13-14,17H,3,6-7,10-12H2,1H3,(H,24,27)/t17-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 171911097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).