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

C13H13ClN2O3 — CID 43442560

IUPAC2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H13ClN2O3/c1-16(8-13(17)18)7-12-15-6-11(19-12)9-2-4-10(14)5-3-9/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyWNBVXUIBLZLIAK-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.51
Rot. Bonds5

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

2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid (PubChem CID 43442560) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid
PubChem CID43442560
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H13ClN2O3/c1-16(8-13(17)18)7-12-15-6-11(19-12)9-2-4-10(14)5-3-9/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyWNBVXUIBLZLIAK-UHFFFAOYSA-N
XLogP2.51
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanoyl-methylamino]acetic acid
CID 119171906
3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119911544
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 51228013
methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate
CID 60670524
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrate;hydrochloride
CID 21152472
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]ethanol
CID 60686061
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine
CID 66185976
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468615
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 27101616
2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanoyl-methylamino]propanoic acid
CID 119208866
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol
CID 78963128

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid (CID 43442560) is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)Cc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid?
The InChIKey is WNBVXUIBLZLIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-16(8-13(17)18)7-12-15-6-11(19-12)9-2-4-10(14)5-3-9/h2-6H,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid?
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid has a molecular weight of 280.71 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 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]methyl-methylamino]acetic acid is sourced from PubChem (CID 43442560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).