5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide

C13H15N3O2S — CID 34140596

IUPAC5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc(CCNC(=O)c2cc(C3CC3)on2)cs1
InChIInChI=1S/C13H15N3O2S/c1-8-15-10(7-19-8)4-5-14-13(17)11-6-12(18-16-11)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,17)
InChIKeyQLECCPJVCGCWRW-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.29
Rot. Bonds5

About 5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 34140596) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID34140596
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc(CCNC(=O)c2cc(C3CC3)on2)cs1
InChIInChI=1S/C13H15N3O2S/c1-8-15-10(7-19-8)4-5-14-13(17)11-6-12(18-16-11)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,17)
InChIKeyQLECCPJVCGCWRW-UHFFFAOYSA-N
XLogP2.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 6465157
5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 6470972
N-(2-cyclopentylsulfanylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 45880905
5-isopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]isoxazole-3-carboxamide
CID 50961689
(5-Cyclopropyl-1,2-oxazol-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 53504760
[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53614143
2-(3-methylisoxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide
CID 56757167
5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,2-oxazole-3-carboxamide
CID 71930966
N-[(3-ethyl-5-isoxazolyl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
CID 72941153
(5-propan-2-yl-1,2-oxazol-3-yl)-[(1R,5S)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 155547888
N-[2-(2-{1-[(5-methyl-3-isoxazolyl)carbonyl]-3-piperidyl}-1,3-thiazol-4-yl)ethyl]propanamide
CID 71830071
N-(2-{2-[1-(5-Methyl-1,2-oxazole-3-carbonyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841694

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 34140596) is 5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1nc(CCNC(=O)c2cc(C3CC3)on2)cs1.
What is the InChIKey of 5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QLECCPJVCGCWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-15-10(7-19-8)4-5-14-13(17)11-6-12(18-16-11)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,17).
What are the key properties of 5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 34140596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).