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

C23H21N3O3 — CID 39773062

IUPAC(E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C23H21N3O3/c1-15-6-4-5-7-22(15)25-23(27)19(13-24)12-18-8-10-20(11-9-18)28-14-21-16(2)26-29-17(21)3/h4-12H,14H2,1-3H3,(H,25,27)/b19-12+
InChIKeyGNMDCXXCKCOOKT-XDHOZWIPSA-N
MW387.44 g/mol
LogP4.72
Rot. Bonds6

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

(E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide (PubChem CID 39773062) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is (E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide
PubChem CID39773062
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name(E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C23H21N3O3/c1-15-6-4-5-7-22(15)25-23(27)19(13-24)12-18-8-10-20(11-9-18)28-14-21-16(2)26-29-17(21)3/h4-12H,14H2,1-3H3,(H,25,27)/b19-12+
InChIKeyGNMDCXXCKCOOKT-XDHOZWIPSA-N
XLogP4.72
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-(2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 98859448
(E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 39773055
(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide
CID 6170562
(E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide
CID 7966917
(Z)-2-cyano-3-[4-(3-methylbutoxy)phenyl]-N-(2-methylphenyl)prop-2-enamide
CID 78786079
2-cyano-N-(2-methylphenyl)-3-[4-[2-(4-methylphenyl)sulfanylethoxy]phenyl]prop-2-enamide
CID 4640944
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 26476001
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55769108
[2-(2-methylanilino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7240216
(Z)-2-cyano-N-(4-methoxyphenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 2360160
(E)-2-cyano-N-(2,6-dimethylphenyl)-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 24542406
(E)-2-cyano-N-(2,6-dimethylphenyl)-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 24505457

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide (CID 39773062) is (E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide is Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)noc2C)cc1.
What is the InChIKey of (E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide?
The InChIKey is GNMDCXXCKCOOKT-XDHOZWIPSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15-6-4-5-7-22(15)25-23(27)19(13-24)12-18-8-10-20(11-9-18)28-14-21-16(2)26-29-17(21)3/h4-12H,14H2,1-3H3,(H,25,27)/b19-12+.
What are the key properties of (E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide?
(E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide has a molecular weight of 387.44 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 39773062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).