2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate

C23H16ClN2O3- — CID 102061545

IUPAC2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate
SMILESO=C([O-])CN(c1ccccc1)c1onc(-c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C23H17ClN2O3/c24-18-13-11-17(12-14-18)22-21(16-7-3-1-4-8-16)23(29-25-22)26(15-20(27)28)19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)/p-1
InChIKeyAJAYRCOPOBXHGO-UHFFFAOYSA-M
MW403.85 g/mol
LogP4.55
Rot. Bonds6

About 2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate

2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate (PubChem CID 102061545) has the molecular formula C23H16ClN2O3- and a molecular weight of 403.85 g/mol. Its IUPAC name is 2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate.

Molecular Properties

Compound Name2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate
PubChem CID102061545
Molecular FormulaC23H16ClN2O3-
Molecular Weight403.85 g/mol
Exact Mass403.09
IUPAC Name2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate
SMILESO=C([O-])CN(c1ccccc1)c1onc(-c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C23H17ClN2O3/c24-18-13-11-17(12-14-18)22-21(16-7-3-1-4-8-16)23(29-25-22)26(15-20(27)28)19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)/p-1
InChIKeyAJAYRCOPOBXHGO-UHFFFAOYSA-M
XLogP4.55
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]propan-1-amine
CID 14023457
N-[3-(4-chloro-3-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide
CID 69007371
ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 131867124
3,4-diphenyl-1,2-oxazole-5-carboxylic acid
CID 129078640
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide
CID 69009291
2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid
CID 69436330
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
2-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]acetic acid
CID 56751638
5-(4-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66200717
3-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-1-methyl-1-phenylurea
CID 90665261
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide
CID 139825880

Frequently Asked Questions

What is the IUPAC name of 2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate?
The IUPAC name of 2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate (CID 102061545) is 2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate.
What is the SMILES notation for 2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate?
The canonical SMILES for 2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate is O=C([O-])CN(c1ccccc1)c1onc(-c2ccc(Cl)cc2)c1-c1ccccc1.
What is the InChIKey of 2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate?
The InChIKey is AJAYRCOPOBXHGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H17ClN2O3/c24-18-13-11-17(12-14-18)22-21(16-7-3-1-4-8-16)23(29-25-22)26(15-20(27)28)19-9-5-2-6-10-19/h1-14H,15H2,(H,27,28)/p-1.
What are the key properties of 2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate?
2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate has a molecular weight of 403.85 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate is sourced from PubChem (CID 102061545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).