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

C15H17ClN2O3 — CID 43631460

IUPAC2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid
SMILESCCCC(NCc1ncc(-c2cccc(Cl)c2)o1)C(=O)O
InChIInChI=1S/C15H17ClN2O3/c1-2-4-12(15(19)20)17-9-14-18-8-13(21-14)10-5-3-6-11(16)7-10/h3,5-8,12,17H,2,4,9H2,1H3,(H,19,20)
InChIKeyBGAVICZQWWDSQY-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.34
Rot. Bonds7

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

2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid (PubChem CID 43631460) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid
PubChem CID43631460
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid
SMILESCCCC(NCc1ncc(-c2cccc(Cl)c2)o1)C(=O)O
InChIInChI=1S/C15H17ClN2O3/c1-2-4-12(15(19)20)17-9-14-18-8-13(21-14)10-5-3-6-11(16)7-10/h3,5-8,12,17H,2,4,9H2,1H3,(H,19,20)
InChIKeyBGAVICZQWWDSQY-UHFFFAOYSA-N
XLogP3.34
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
CID 78817670
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]butanoic acid
CID 105353084
5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole
CID 56823231
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide
CID 86930999
2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183004
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468615
N-[2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182024
2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]-4-methylpentanoic acid
CID 66528004
methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate
CID 60670524
2-[2-(3-chlorophenoxy)ethylamino]pentanoic acid
CID 43631975
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
CID 60696759
2-[(2,5-dichlorophenyl)methylamino]pentanoic acid
CID 65316981

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid (CID 43631460) is 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid is CCCC(NCc1ncc(-c2cccc(Cl)c2)o1)C(=O)O.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid?
The InChIKey is BGAVICZQWWDSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-2-4-12(15(19)20)17-9-14-18-8-13(21-14)10-5-3-6-11(16)7-10/h3,5-8,12,17H,2,4,9H2,1H3,(H,19,20).
What are the key properties of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid?
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid has a molecular weight of 308.76 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid is sourced from PubChem (CID 43631460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).