(E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide

C19H15ClN2O3 — CID 22058555

IUPAC(E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccccc2Cl)ccc1-c1cnco1
InChIInChI=1S/C19H15ClN2O3/c1-24-17-10-14(7-8-15(17)18-11-21-12-25-18)22-19(23)9-6-13-4-2-3-5-16(13)20/h2-12H,1H3,(H,22,23)/b9-6+
InChIKeyMJEXHBRNRUHXHK-RMKNXTFCSA-N
MW354.79 g/mol
LogP4.66
Rot. Bonds5

About (E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide (PubChem CID 22058555) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
PubChem CID22058555
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name(E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccccc2Cl)ccc1-c1cnco1
InChIInChI=1S/C19H15ClN2O3/c1-24-17-10-14(7-8-15(17)18-11-21-12-25-18)22-19(23)9-6-13-4-2-3-5-16(13)20/h2-12H,1H3,(H,22,23)/b9-6+
InChIKeyMJEXHBRNRUHXHK-RMKNXTFCSA-N
XLogP4.66
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.66
H-Bond Donors ≤ 51
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 (E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide (CID 22058555) is (E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide is COc1cc(NC(=O)/C=C/c2ccccc2Cl)ccc1-c1cnco1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The InChIKey is MJEXHBRNRUHXHK-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-24-17-10-14(7-8-15(17)18-11-21-12-25-18)22-19(23)9-6-13-4-2-3-5-16(13)20/h2-12H,1H3,(H,22,23)/b9-6+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide has a molecular weight of 354.79 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 22058555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).