2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid

C15H15ClN2O4 — CID 119206351

IUPAC2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H15ClN2O4/c1-2-18(8-14(20)21)13(19)7-12-9-22-15(17-12)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,20,21)
InChIKeyGZXZOKFKYWHKPY-UHFFFAOYSA-N
MW322.75 g/mol
LogP2.47
Rot. Bonds6

About 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid

2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid (PubChem CID 119206351) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid
PubChem CID119206351
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC Name2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H15ClN2O4/c1-2-18(8-14(20)21)13(19)7-12-9-22-15(17-12)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,20,21)
InChIKeyGZXZOKFKYWHKPY-UHFFFAOYSA-N
XLogP2.47
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-(2-methylpropyl)amino]acetic acid
CID 119193245
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388558
N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 54770947
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119212020
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 119444124
3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588911
2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid
CID 119195424
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]butanoic acid
CID 105352747
N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119499058
(2S)-2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylamino]propanoic acid
CID 83193093
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 62687553

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid (CID 119206351) is 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid?
The InChIKey is GZXZOKFKYWHKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-2-18(8-14(20)21)13(19)7-12-9-22-15(17-12)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,20,21).
What are the key properties of 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid?
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid has a molecular weight of 322.75 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid is sourced from PubChem (CID 119206351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).