3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one

C17H14ClNO3 — CID 90956958

IUPAC3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one
SMILESO=c1occ(O)n1CCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClNO3/c18-15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-10-19-16(20)11-22-17(19)21/h1-8,11,20H,9-10H2
InChIKeyZRMXIUZKNMKOBF-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.71
Rot. Bonds4

About 3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one

3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one (PubChem CID 90956958) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one
PubChem CID90956958
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one
SMILESO=c1occ(O)n1CCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClNO3/c18-15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-10-19-16(20)11-22-17(19)21/h1-8,11,20H,9-10H2
InChIKeyZRMXIUZKNMKOBF-UHFFFAOYSA-N
XLogP3.71
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one
CID 90880841
4-hydroxy-3-[2-(1H-pyrrol-2-yl)ethyl]-1,3-oxazol-2-one
CID 91450949
1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600003
6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 113404580
[4-[2-(4-chlorophenyl)ethyl]phenyl]methanol
CID 118032824
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3863874
2-[5-(4-chlorophenyl)furan-3-yl]ethanol
CID 175140902
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethylsulfanyl)pyrrole-2,5-dione
CID 110569177
3-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-oxadiazol-5-one
CID 142700179
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one?
The IUPAC name of 3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one (CID 90956958) is 3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one.
What is the SMILES notation for 3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one?
The canonical SMILES for 3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one is O=c1occ(O)n1CCc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one?
The InChIKey is ZRMXIUZKNMKOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-10-19-16(20)11-22-17(19)21/h1-8,11,20H,9-10H2.
What are the key properties of 3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one?
3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one has a molecular weight of 315.76 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one is sourced from PubChem (CID 90956958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).