3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid

C13H14N2O4S — CID 107369708

IUPAC3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1ccc(CC(C)NC(=O)c2cc(C(=O)O)on2)s1
InChIInChI=1S/C13H14N2O4S/c1-7(5-9-4-3-8(2)20-9)14-12(16)10-6-11(13(17)18)19-15-10/h3-4,6-7H,5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyTXDSXLLRGDQKFI-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.10
Rot. Bonds5

About 3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid

3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369708) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369708
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1ccc(CC(C)NC(=O)c2cc(C(=O)O)on2)s1
InChIInChI=1S/C13H14N2O4S/c1-7(5-9-4-3-8(2)20-9)14-12(16)10-6-11(13(17)18)19-15-10/h3-4,6-7H,5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyTXDSXLLRGDQKFI-UHFFFAOYSA-N
XLogP2.10
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369608
3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369962
3-(4-methylhexan-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369739
3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796744
5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 176958817
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 114344434
5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 65311265
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide
CID 107030799
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369219
3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369381

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369708) is 3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid is Cc1ccc(CC(C)NC(=O)c2cc(C(=O)O)on2)s1.
What is the InChIKey of 3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is TXDSXLLRGDQKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-7(5-9-4-3-8(2)20-9)14-12(16)10-6-11(13(17)18)19-15-10/h3-4,6-7H,5H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).