N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C21H22N4O3S — CID 110219072

IUPACN-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCC1CCCCN1c1ccc(NC(=O)c2ncoc2-c2cccs2)cc1C(N)=O
InChIInChI=1S/C21H22N4O3S/c1-13-5-2-3-9-25(13)16-8-7-14(11-15(16)20(22)26)24-21(27)18-19(28-12-23-18)17-6-4-10-29-17/h4,6-8,10-13H,2-3,5,9H2,1H3,(H2,22,26)(H,24,27)
InChIKeyMUXGHQNFGJQSMW-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.13
Rot. Bonds5

About N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 110219072) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID110219072
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCC1CCCCN1c1ccc(NC(=O)c2ncoc2-c2cccs2)cc1C(N)=O
InChIInChI=1S/C21H22N4O3S/c1-13-5-2-3-9-25(13)16-8-7-14(11-15(16)20(22)26)24-21(27)18-19(28-12-23-18)17-6-4-10-29-17/h4,6-8,10-13H,2-3,5,9H2,1H3,(H2,22,26)(H,24,27)
InChIKeyMUXGHQNFGJQSMW-UHFFFAOYSA-N
XLogP4.13
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-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

N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide
CID 100803273
N-(2-carbamoylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 16672225
5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide
CID 7451570
N-(3-fluoro-4-methylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 46347104
N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 20963618
N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 126470018
N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 46347103
N-[4-(1-morpholin-4-ylethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 75463337
[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 95315636
N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 75467874
N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide
CID 100803316
N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 19768665

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 110219072) is N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is CC1CCCCN1c1ccc(NC(=O)c2ncoc2-c2cccs2)cc1C(N)=O.
What is the InChIKey of N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is MUXGHQNFGJQSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-13-5-2-3-9-25(13)16-8-7-14(11-15(16)20(22)26)24-21(27)18-19(28-12-23-18)17-6-4-10-29-17/h4,6-8,10-13H,2-3,5,9H2,1H3,(H2,22,26)(H,24,27).
What are the key properties of N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 110219072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).