2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid

C15H17ClN2O3 — CID 43468615

IUPAC2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid
SMILESCC(C)C(NCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)O
InChIInChI=1S/C15H17ClN2O3/c1-9(2)14(15(19)20)18-8-13-17-7-12(21-13)10-3-5-11(16)6-4-10/h3-7,9,14,18H,8H2,1-2H3,(H,19,20)
InChIKeyGFDCIZBMJWLNAU-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.19
Rot. Bonds6

About 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid

2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid (PubChem CID 43468615) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid
PubChem CID43468615
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid
SMILESCC(C)C(NCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)O
InChIInChI=1S/C15H17ClN2O3/c1-9(2)14(15(19)20)18-8-13-17-7-12(21-13)10-3-5-11(16)6-4-10/h3-7,9,14,18H,8H2,1-2H3,(H,19,20)
InChIKeyGFDCIZBMJWLNAU-UHFFFAOYSA-N
XLogP3.19
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
CID 78817732
(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 8636383
(1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 52765671
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid
CID 43442560
2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide
CID 32998042
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid
CID 43631460
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine;hydrochloride
CID 3049285
3-methyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]butanoic acid
CID 43468492
2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanoyl-methylamino]propanoic acid
CID 119208866
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
CID 78817670
(1R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8863493

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid (CID 43468615) is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid is CC(C)C(NCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)O.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid?
The InChIKey is GFDCIZBMJWLNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-9(2)14(15(19)20)18-8-13-17-7-12(21-13)10-3-5-11(16)6-4-10/h3-7,9,14,18H,8H2,1-2H3,(H,19,20).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid?
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid has a molecular weight of 308.76 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid is sourced from PubChem (CID 43468615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).