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

C19H15ClN2O3 — CID 22058546

IUPAC(E)-3-(4-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1-c1cnco1
InChIInChI=1S/C19H15ClN2O3/c1-24-17-10-15(7-8-16(17)18-11-21-12-25-18)22-19(23)9-4-13-2-5-14(20)6-3-13/h2-12H,1H3,(H,22,23)/b9-4+
InChIKeyNQAZUDBPNUTMBJ-RUDMXATFSA-N
MW354.79 g/mol
LogP4.66
Rot. Bonds5

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

(E)-3-(4-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide (PubChem CID 22058546) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
PubChem CID22058546
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name(E)-3-(4-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1-c1cnco1
InChIInChI=1S/C19H15ClN2O3/c1-24-17-10-15(7-8-16(17)18-11-21-12-25-18)22-19(23)9-4-13-2-5-14(20)6-3-13/h2-12H,1H3,(H,22,23)/b9-4+
InChIKeyNQAZUDBPNUTMBJ-RUDMXATFSA-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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Related Compounds

Merimepodib
CID 153241
Avn 944
CID 9918559
1-(4-Chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea
CID 2806316
N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
CID 86582964
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
CID 117800355
(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide
CID 121363302
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
3-Methoxy-4-(oxazol-5-yl)aniline
CID 15462732
tetrahydrofuran-3-yl N-[[3-[(3-methoxy-4-oxazol-5-yl-phenyl)carbamoylamino]phenyl]methyl]carbamate
CID 11964344
4-Chloro-N-(4-(5-oxazolyl)phenyl)benzamide
CID 2739168
N-(3-methoxy-4-oxazol-5-yl-phenyl)-5-phenyl-oxazol-2-amine
CID 497770
N-(3-methoxy-4-oxazol-5-yl-phenyl)-5-(o-tolyl)oxazol-2-amine
CID 497771

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide (CID 22058546) is (E)-3-(4-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide is COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1-c1cnco1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The InChIKey is NQAZUDBPNUTMBJ-RUDMXATFSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-24-17-10-15(7-8-16(17)18-11-21-12-25-18)22-19(23)9-4-13-2-5-14(20)6-3-13/h2-12H,1H3,(H,22,23)/b9-4+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
(E)-3-(4-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-(4-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 22058546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).