2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid

C21H20N2O4 — CID 119245551

IUPAC2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
SMILESO=C(NCC(Cc1cccc2ccccc12)C(=O)O)c1cc(C2CC2)on1
InChIInChI=1S/C21H20N2O4/c24-20(18-11-19(27-23-18)14-8-9-14)22-12-16(21(25)26)10-15-6-3-5-13-4-1-2-7-17(13)15/h1-7,11,14,16H,8-10,12H2,(H,22,24)(H,25,26)
InChIKeyGBNABVGHVWILIY-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.38
Rot. Bonds7

About 2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid

2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid (PubChem CID 119245551) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
PubChem CID119245551
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
SMILESO=C(NCC(Cc1cccc2ccccc12)C(=O)O)c1cc(C2CC2)on1
InChIInChI=1S/C21H20N2O4/c24-20(18-11-19(27-23-18)14-8-9-14)22-12-16(21(25)26)10-15-6-3-5-13-4-1-2-7-17(13)15/h1-7,11,14,16H,8-10,12H2,(H,22,24)(H,25,26)
InChIKeyGBNABVGHVWILIY-UHFFFAOYSA-N
XLogP3.38
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245413
N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119529507
2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 120527172
2-[[(1,4-dimethylpyrazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 167979022
2-[[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245542
2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245533
2-[[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245564
N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 33097528
2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245555
2-[(3-methylbutanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245641
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243121
2-[(2-methylsulfanylpropanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245630

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
The IUPAC name of 2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid (CID 119245551) is 2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for 2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
The canonical SMILES for 2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid is O=C(NCC(Cc1cccc2ccccc12)C(=O)O)c1cc(C2CC2)on1.
What is the InChIKey of 2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
The InChIKey is GBNABVGHVWILIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-20(18-11-19(27-23-18)14-8-9-14)22-12-16(21(25)26)10-15-6-3-5-13-4-1-2-7-17(13)15/h1-7,11,14,16H,8-10,12H2,(H,22,24)(H,25,26).
What are the key properties of 2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid has a molecular weight of 364.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 119245551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).