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

C14H15ClN2O3 — CID 75384716

IUPAC2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H15ClN2O3/c1-9(14(18)19)17(2)8-12-7-13(16-20-12)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyAGPJGWYMKBHKOU-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.90
Rot. Bonds5

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

2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid (PubChem CID 75384716) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid
PubChem CID75384716
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H15ClN2O3/c1-9(14(18)19)17(2)8-12-7-13(16-20-12)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyAGPJGWYMKBHKOU-UHFFFAOYSA-N
XLogP2.90
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]propanoic acid
CID 122082994
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylcarbamoyl]-3-methylbutanoic acid
CID 167935125
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 62637417
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
CID 131857629
2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82294611
(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride
CID 154895539
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
CID 62638137
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide
CID 134007751
(2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid
CID 104876274
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
2-[(4-chlorothiophen-2-yl)methyl-methylamino]propanoic acid
CID 79426680

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid (CID 75384716) is 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid is CC(C(=O)O)N(C)Cc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid?
The InChIKey is AGPJGWYMKBHKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-9(14(18)19)17(2)8-12-7-13(16-20-12)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid?
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid has a molecular weight of 294.74 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid is sourced from PubChem (CID 75384716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).