(5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide

C14H19N3O3S — CID 100815768

IUPAC(5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESCC(C)NC(=O)CNC(=O)[C@]1(C)CC(c2cccs2)=NO1
InChIInChI=1S/C14H19N3O3S/c1-9(2)16-12(18)8-15-13(19)14(3)7-10(17-20-14)11-5-4-6-21-11/h4-6,9H,7-8H2,1-3H3,(H,15,19)(H,16,18)/t14-/m0/s1
InChIKeyUBWLUKWVSICDMO-AWEZNQCLSA-N
MW309.39 g/mol
LogP1.27
Rot. Bonds5

About (5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide

(5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide (PubChem CID 100815768) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is (5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
PubChem CID100815768
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name(5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESCC(C)NC(=O)CNC(=O)[C@]1(C)CC(c2cccs2)=NO1
InChIInChI=1S/C14H19N3O3S/c1-9(2)16-12(18)8-15-13(19)14(3)7-10(17-20-14)11-5-4-6-21-11/h4-6,9H,7-8H2,1-3H3,(H,15,19)(H,16,18)/t14-/m0/s1
InChIKeyUBWLUKWVSICDMO-AWEZNQCLSA-N
XLogP1.27
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815760
N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551812
N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551896
5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551808
(5R)-5-methyl-N-(3-pyrazol-1-ylpropyl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815742
(5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815757
(5S)-5-methyl-N-(4-methyl-2-pyridinyl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815777
(5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide
CID 97465804
(2-methylpiperidin-1-yl)-(5-methyl-3-thiophen-2-yl-4H-1,2-oxazol-5-yl)methanone
CID 102551898
N-propan-2-yl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582333
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264543
2-[[N-methyl-C-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonimidoyl]amino]-N-propan-2-ylacetamide
CID 119133196

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide (CID 100815768) is (5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide is CC(C)NC(=O)CNC(=O)[C@]1(C)CC(c2cccs2)=NO1.
What is the InChIKey of (5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is UBWLUKWVSICDMO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9(2)16-12(18)8-15-13(19)14(3)7-10(17-20-14)11-5-4-6-21-11/h4-6,9H,7-8H2,1-3H3,(H,15,19)(H,16,18)/t14-/m0/s1.
What are the key properties of (5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
(5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100815768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).