(4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one

C17H12ClNO3 — CID 781335

IUPAC(4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O
InChIInChI=1S/C17H12ClNO3/c1-21-15-9-5-2-6-11(15)10-14-17(20)22-16(19-14)12-7-3-4-8-13(12)18/h2-10H,1H3/b14-10-
InChIKeyDHGBPNKBSNVYHU-UVTDQMKNSA-N
MW313.74 g/mol
LogP3.69
Rot. Bonds3

About (4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one

(4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 781335) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is (4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID781335
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name(4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O
InChIInChI=1S/C17H12ClNO3/c1-21-15-9-5-2-6-11(15)10-14-17(20)22-16(19-14)12-7-3-4-8-13(12)18/h2-10H,1H3/b14-10-
InChIKeyDHGBPNKBSNVYHU-UVTDQMKNSA-N
XLogP3.69
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 781335) is (4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one is COc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O.
What is the InChIKey of (4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is DHGBPNKBSNVYHU-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H12ClNO3/c1-21-15-9-5-2-6-11(15)10-14-17(20)22-16(19-14)12-7-3-4-8-13(12)18/h2-10H,1H3/b14-10-.
What are the key properties of (4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 313.74 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 781335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).