2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid

C13H12N2O4S — CID 62695945

IUPAC2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H12N2O4S/c16-12(14-11(13(17)18)7-3-4-7)8-6-9(19-15-8)10-2-1-5-20-10/h1-2,5-7,11H,3-4H2,(H,14,16)(H,17,18)
InChIKeyBNVIFAYMECXFCB-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.00
Rot. Bonds5

About 2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid (PubChem CID 62695945) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
PubChem CID62695945
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H12N2O4S/c16-12(14-11(13(17)18)7-3-4-7)8-6-9(19-15-8)10-2-1-5-20-10/h1-2,5-7,11H,3-4H2,(H,14,16)(H,17,18)
InChIKeyBNVIFAYMECXFCB-UHFFFAOYSA-N
XLogP2.00
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid
CID 119213207
2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 119213726
(2S)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 61137275
(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 79010933
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
(2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 107564210
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-[(S)-phenyl(thiophen-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 92574304
3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 43356462
N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 134050746
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid (CID 62695945) is 2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1cc(-c2cccs2)on1.
What is the InChIKey of 2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The InChIKey is BNVIFAYMECXFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-12(14-11(13(17)18)7-3-4-7)8-6-9(19-15-8)10-2-1-5-20-10/h1-2,5-7,11H,3-4H2,(H,14,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid has a molecular weight of 292.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 62695945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).