2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C15H17N3O4S — CID 120537730

IUPAC2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CC2)oc1C(=O)NC(C)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C15H17N3O4S/c1-6-10(22-13(17-6)9-4-5-9)12(19)16-8(3)14-18-7(2)11(23-14)15(20)21/h8-9H,4-5H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyCNIFSRABLIBKQT-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.81
Rot. Bonds5

About 2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 120537730) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID120537730
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CC2)oc1C(=O)NC(C)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C15H17N3O4S/c1-6-10(22-13(17-6)9-4-5-9)12(19)16-8(3)14-18-7(2)11(23-14)15(20)21/h8-9H,4-5H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyCNIFSRABLIBKQT-UHFFFAOYSA-N
XLogP2.81
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 120522817
4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 75518239
4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 120537651
2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 164633710
2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537583
2-[1-(1H-indole-5-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 86784879
2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 138057892
methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate
CID 130703206
3-(4-bromophenyl)-3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 120516143
4-methyl-2-[1-[(3-methyl-5-nitrobenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 120689835
3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120528887
7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid
CID 120524103

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 120537730) is 2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(C2CC2)oc1C(=O)NC(C)c1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is CNIFSRABLIBKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-6-10(22-13(17-6)9-4-5-9)12(19)16-8(3)14-18-7(2)11(23-14)15(20)21/h8-9H,4-5H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 335.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 120537730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).