5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

C12H14N2O2S — CID 5309850

IUPAC5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2cccs2)no1
InChIInChI=1S/C12H14N2O2S/c1-2-4-9-7-11(14-16-9)12(15)13-8-10-5-3-6-17-10/h3,5-7H,2,4,8H2,1H3,(H,13,15)
InChIKeyRJURQLLDTVKROQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.62
Rot. Bonds5

About 5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 5309850) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID5309850
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2cccs2)no1
InChIInChI=1S/C12H14N2O2S/c1-2-4-9-7-11(14-16-9)12(15)13-8-10-5-3-6-17-10/h3,5-7H,2,4,8H2,1H3,(H,13,15)
InChIKeyRJURQLLDTVKROQ-UHFFFAOYSA-N
XLogP2.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.62
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
4-{[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 3242386
5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 1245269
N-(2-cyanoethyl)-5-methyl-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 2813037
5-methyl-N'-(2-thienylmethylene)-3-isoxazolecarbohydrazide
CID 6875161
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788
1-Piperidinyl-(5-thiophen-2-yl-3-isoxazolyl)methanone
CID 2745204
N-Isopropyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 2745205
5-thien-2-yl-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 3238191
N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 3241096

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 5309850) is 5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)NCc2cccs2)no1.
What is the InChIKey of 5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RJURQLLDTVKROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-4-9-7-11(14-16-9)12(15)13-8-10-5-3-6-17-10/h3,5-7H,2,4,8H2,1H3,(H,13,15).
What are the key properties of 5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5309850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).