(Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide

C15H14N4O3 — CID 108821073

IUPAC(Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C(C#N)=C\Nc1cc(C)on1
InChIInChI=1S/C15H14N4O3/c1-10-7-14(19-22-10)17-9-11(8-16)15(20)18-12-5-3-4-6-13(12)21-2/h3-7,9H,1-2H3,(H,17,19)(H,18,20)/b11-9-
InChIKeyWDROMSRFXLOSNF-LUAWRHEFSA-N
MW298.30 g/mol
LogP2.45
Rot. Bonds5

About (Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide

(Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide (PubChem CID 108821073) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
PubChem CID108821073
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name(Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C(C#N)=C\Nc1cc(C)on1
InChIInChI=1S/C15H14N4O3/c1-10-7-14(19-22-10)17-9-11(8-16)15(20)18-12-5-3-4-6-13(12)21-2/h3-7,9H,1-2H3,(H,17,19)(H,18,20)/b11-9-
InChIKeyWDROMSRFXLOSNF-LUAWRHEFSA-N
XLogP2.45
TPSA100.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857142
(Z)-2-cyano-3-(3,5-dimethylanilino)-N-(2-methoxyphenyl)prop-2-enamide
CID 108821154
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108857888
(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-methoxyphenyl)prop-2-enamide
CID 108821009
(Z)-2-cyano-3-(3,4-dimethoxyanilino)-N-(2-methoxyphenyl)prop-2-enamide
CID 108820894
(Z)-2-cyano-3-(2,6-difluoroanilino)-N-(2-methoxyphenyl)prop-2-enamide
CID 108821058
(Z)-N-(4-acetamidophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108818643
(Z)-3-(3-bromoanilino)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 108821129
(Z)-3-(3-chloro-2-methylanilino)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 108820917
(Z)-3-(3-chloroanilino)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 108821016
(Z)-3-[(5-bromopyrimidin-2-yl)amino]-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 108821248
(Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108860462

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide (CID 108821073) is (Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide is COc1ccccc1NC(=O)/C(C#N)=C\Nc1cc(C)on1.
What is the InChIKey of (Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
The InChIKey is WDROMSRFXLOSNF-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-10-7-14(19-22-10)17-9-11(8-16)15(20)18-12-5-3-4-6-13(12)21-2/h3-7,9H,1-2H3,(H,17,19)(H,18,20)/b11-9-.
What are the key properties of (Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
(Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide has a molecular weight of 298.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide is sourced from PubChem (CID 108821073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).