2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid

C17H17ClN2O5 — CID 119211227

IUPAC2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cc(-c2cccc(Cl)c2)no1)C1CCOCC1
InChIInChI=1S/C17H17ClN2O5/c18-12-3-1-2-11(8-12)14-9-15(25-19-14)17(23)20(10-16(21)22)13-4-6-24-7-5-13/h1-3,8-9,13H,4-7,10H2,(H,21,22)
InChIKeyOKSOJENYPSQZOP-UHFFFAOYSA-N
MW364.79 g/mol
LogP2.70
Rot. Bonds5

About 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid

2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid (PubChem CID 119211227) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid
PubChem CID119211227
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cc(-c2cccc(Cl)c2)no1)C1CCOCC1
InChIInChI=1S/C17H17ClN2O5/c18-12-3-1-2-11(8-12)14-9-15(25-19-14)17(23)20(10-16(21)22)13-4-6-24-7-5-13/h1-3,8-9,13H,4-7,10H2,(H,21,22)
InChIKeyOKSOJENYPSQZOP-UHFFFAOYSA-N
XLogP2.70
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dichlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 119211299
3-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207245
2-[(5-chloro-1-benzofuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 122146429
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 122146306
2-[(4-chlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 154742650
2-[(4-chloro-2-fluorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 119211140
(3S)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703485
3-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117492610
3-phenyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-5-carboxamide
CID 119825777
2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 119211315
2-[(2,5-dichlorothiophene-3-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 119211309
3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide
CID 119557122

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid (CID 119211227) is 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid is O=C(O)CN(C(=O)c1cc(-c2cccc(Cl)c2)no1)C1CCOCC1.
What is the InChIKey of 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid?
The InChIKey is OKSOJENYPSQZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c18-12-3-1-2-11(8-12)14-9-15(25-19-14)17(23)20(10-16(21)22)13-4-6-24-7-5-13/h1-3,8-9,13H,4-7,10H2,(H,21,22).
What are the key properties of 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid?
2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid has a molecular weight of 364.79 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 119211227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).