(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide

C16H16N4O2 — CID 108857888

IUPAC(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\Nc2cc(C)on2)c(C)c1
InChIInChI=1S/C16H16N4O2/c1-10-4-5-14(11(2)6-10)19-16(21)13(8-17)9-18-15-7-12(3)22-20-15/h4-7,9H,1-3H3,(H,18,20)(H,19,21)/b13-9-
InChIKeyJBQFHGRBMNZOPL-LCYFTJDESA-N
MW296.33 g/mol
LogP3.06
Rot. Bonds4

About (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide

(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide (PubChem CID 108857888) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
PubChem CID108857888
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\Nc2cc(C)on2)c(C)c1
InChIInChI=1S/C16H16N4O2/c1-10-4-5-14(11(2)6-10)19-16(21)13(8-17)9-18-15-7-12(3)22-20-15/h4-7,9H,1-3H3,(H,18,20)(H,19,21)/b13-9-
InChIKeyJBQFHGRBMNZOPL-LCYFTJDESA-N
XLogP3.06
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
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'}

Analyze (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide with MolForge

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Related Compounds

(Z)-N-(4-acetamidophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108818643
(Z)-2-cyano-N-(2-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108821073
(Z)-2-cyano-3-(2,3-dimethylanilino)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857823
(Z)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857142
(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108850811
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108858027
(Z)-2-cyano-3-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857925
(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857887
(Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108843479
(Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108860462
(Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857985
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)prop-2-enamide
CID 8865213

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide (CID 108857888) is (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C\Nc2cc(C)on2)c(C)c1.
What is the InChIKey of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
The InChIKey is JBQFHGRBMNZOPL-LCYFTJDESA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-4-5-14(11(2)6-10)19-16(21)13(8-17)9-18-15-7-12(3)22-20-15/h4-7,9H,1-3H3,(H,18,20)(H,19,21)/b13-9-.
What are the key properties of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide has a molecular weight of 296.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide is sourced from PubChem (CID 108857888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).