N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C19H17N3O3S — CID 55711740

IUPACN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C19H17N3O3S/c1-11-4-7-13(20-18(23)12-5-6-12)9-14(11)21-19(24)15-10-16(25-22-15)17-3-2-8-26-17/h2-4,7-10,12H,5-6H2,1H3,(H,20,23)(H,21,24)
InChIKeyKJLLPHREHUZATC-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.31
Rot. Bonds5

About N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 55711740) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID55711740
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C19H17N3O3S/c1-11-4-7-13(20-18(23)12-5-6-12)9-14(11)21-19(24)15-10-16(25-22-15)17-3-2-8-26-17/h2-4,7-10,12H,5-6H2,1H3,(H,20,23)(H,21,24)
InChIKeyKJLLPHREHUZATC-UHFFFAOYSA-N
XLogP4.31
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 134050746
N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 75371409
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022321
N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 41266351
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253076
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337765
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 56557476

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 55711740) is N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is KJLLPHREHUZATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11-4-7-13(20-18(23)12-5-6-12)9-14(11)21-19(24)15-10-16(25-22-15)17-3-2-8-26-17/h2-4,7-10,12H,5-6H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55711740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).