N-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C11H12N2O2S — CID 2745205

IUPACN-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C11H12N2O2S/c1-7(2)12-11(14)8-6-9(15-13-8)10-4-3-5-16-10/h3-7H,1-2H3,(H,12,14)
InChIKeyDUVNGVHHLPZRQA-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.54
Rot. Bonds3

About N-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 2745205) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID2745205
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C11H12N2O2S/c1-7(2)12-11(14)8-6-9(15-13-8)10-4-3-5-16-10/h3-7H,1-2H3,(H,12,14)
InChIKeyDUVNGVHHLPZRQA-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 19582717
N-Cyclohexyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 15998429
N-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
N-(4-methoxyphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253078
4-{[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 3242386
N3-(4-chlorophenyl)-5-(2-thienyl)isoxazole-3-carboxamide
CID 2745203
N-(2-cyanoethyl)-5-methyl-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 2813037
5-(3-methoxyphenyl)-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 16188597
N-(3-hydroxyphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253072
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788
1-Piperidinyl-(5-thiophen-2-yl-3-isoxazolyl)methanone
CID 2745204
5-thien-2-yl-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 3238191

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 2745205) is N-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CC(C)NC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is DUVNGVHHLPZRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7(2)12-11(14)8-6-9(15-13-8)10-4-3-5-16-10/h3-7H,1-2H3,(H,12,14).
What are the key properties of N-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2745205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).