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

C16H15N3O3S — CID 126788727

IUPACN-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1csc(C(NC(=O)c2cc(-c3ccco3)on2)C2CC2)n1
InChIInChI=1S/C16H15N3O3S/c1-9-8-23-16(17-9)14(10-4-5-10)18-15(20)11-7-13(22-19-11)12-3-2-6-21-12/h2-3,6-8,10,14H,4-5H2,1H3,(H,18,20)
InChIKeyOOHHLJSLJSAYGX-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.58
Rot. Bonds5

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

N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 126788727) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID126788727
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1csc(C(NC(=O)c2cc(-c3ccco3)on2)C2CC2)n1
InChIInChI=1S/C16H15N3O3S/c1-9-8-23-16(17-9)14(10-4-5-10)18-15(20)11-7-13(22-19-11)12-3-2-6-21-12/h2-3,6-8,10,14H,4-5H2,1H3,(H,18,20)
InChIKeyOOHHLJSLJSAYGX-UHFFFAOYSA-N
XLogP3.58
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 51929771
1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97048818
5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 97073717
5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119138180
(2S)-2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 61136607
N-(3,4-dimethylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3244522
3-amino-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylbutanamide
CID 120504188
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353357
5-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-2-yl)-1,2-oxazole-3-carboxamide
CID 61245918
1-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 119039740
1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 99817793
N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 112817167

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 126788727) is N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is Cc1csc(C(NC(=O)c2cc(-c3ccco3)on2)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is OOHHLJSLJSAYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-9-8-23-16(17-9)14(10-4-5-10)18-15(20)11-7-13(22-19-11)12-3-2-6-21-12/h2-3,6-8,10,14H,4-5H2,1H3,(H,18,20).
What are the key properties of N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126788727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).