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

C17H18N2O4 — CID 120517979

IUPAC2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid
SMILESCc1nc(C2CC2)oc1C(=O)N(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C17H18N2O4/c1-11-15(23-16(18-11)13-7-8-13)17(22)19(10-14(20)21)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,20,21)
InChIKeyFTSHEIMRESYQDB-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.59
Rot. Bonds6

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

2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid (PubChem CID 120517979) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid
PubChem CID120517979
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid
SMILESCc1nc(C2CC2)oc1C(=O)N(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C17H18N2O4/c1-11-15(23-16(18-11)13-7-8-13)17(22)19(10-14(20)21)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,20,21)
InChIKeyFTSHEIMRESYQDB-UHFFFAOYSA-N
XLogP2.59
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid
CID 44571126
2-[benzyl-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 120517958
methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate
CID 130703206
2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid
CID 119193590
2-[benzyl-(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]acetic acid
CID 100635915
2-[benzyl-(6-methoxypyrazine-2-carbonyl)amino]acetic acid
CID 166310369
2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 61186434
2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 53195326
N,N-dibenzyl-2-(iodomethyl)-5-methyl-2,3-dihydrofuran-4-carboxamide
CID 11037666
2-[benzyl-(4,4-difluorocyclohexanecarbonyl)amino]acetic acid
CID 120517973
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
N-benzyl-5-bromo-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide
CID 110895231

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid (CID 120517979) is 2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid is Cc1nc(C2CC2)oc1C(=O)N(CC(=O)O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid?
The InChIKey is FTSHEIMRESYQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-15(23-16(18-11)13-7-8-13)17(22)19(10-14(20)21)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,20,21).
What are the key properties of 2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid?
2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid has a molecular weight of 314.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 120517979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).