2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid

C15H13BrN2O4 — CID 119197846

IUPAC2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)c1ccc(Br)cc1)c1cc(C2CC2)on1
InChIInChI=1S/C15H13BrN2O4/c16-10-5-3-9(4-6-10)13(15(20)21)17-14(19)11-7-12(22-18-11)8-1-2-8/h3-8,13H,1-2H2,(H,17,19)(H,20,21)
InChIKeyBGUPGOXLSBZMGA-UHFFFAOYSA-N
MW365.18 g/mol
LogP2.87
Rot. Bonds5

About 2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid

2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid (PubChem CID 119197846) has the molecular formula C15H13BrN2O4 and a molecular weight of 365.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
PubChem CID119197846
Molecular FormulaC15H13BrN2O4
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)c1ccc(Br)cc1)c1cc(C2CC2)on1
InChIInChI=1S/C15H13BrN2O4/c16-10-5-3-9(4-6-10)13(15(20)21)17-14(19)11-7-12(22-18-11)8-1-2-8/h3-8,13H,1-2H2,(H,17,19)(H,20,21)
InChIKeyBGUPGOXLSBZMGA-UHFFFAOYSA-N
XLogP2.87
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 96997695
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 43469491
(3S)-3-(4-chlorophenyl)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 97184877
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243121
N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130187969
N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 6621450
5-cyclopropyl-N-[piperidin-4-yl(pyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 130188139
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 166241795
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780615
5-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 113339620
5-cyclopropyl-N-(2-hydroxy-1-piperidin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 130188178
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid (CID 119197846) is 2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)c1ccc(Br)cc1)c1cc(C2CC2)on1.
What is the InChIKey of 2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The InChIKey is BGUPGOXLSBZMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4/c16-10-5-3-9(4-6-10)13(15(20)21)17-14(19)11-7-12(22-18-11)8-1-2-8/h3-8,13H,1-2H2,(H,17,19)(H,20,21).
What are the key properties of 2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid?
2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid has a molecular weight of 365.18 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 119197846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).