(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide

C17H18N4O2 — CID 108850811

IUPAC(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)/C(C#N)=C\Nc1cc(C)on1
InChIInChI=1S/C17H18N4O2/c1-4-13-7-5-6-11(2)16(13)20-17(22)14(9-18)10-19-15-8-12(3)23-21-15/h5-8,10H,4H2,1-3H3,(H,19,21)(H,20,22)/b14-10-
InChIKeyNTWMGIVUDIYBNT-UVTDQMKNSA-N
MW310.36 g/mol
LogP3.31
Rot. Bonds5

About (Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide

(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide (PubChem CID 108850811) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
PubChem CID108850811
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)/C(C#N)=C\Nc1cc(C)on1
InChIInChI=1S/C17H18N4O2/c1-4-13-7-5-6-11(2)16(13)20-17(22)14(9-18)10-19-15-8-12(3)23-21-15/h5-8,10H,4H2,1-3H3,(H,19,21)(H,20,22)/b14-10-
InChIKeyNTWMGIVUDIYBNT-UVTDQMKNSA-N
XLogP3.31
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.31
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-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108512068
(Z)-3-(3-bromoanilino)-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850867
(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-(propylamino)prop-2-enamide
CID 108850646
methyl 3-[[(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-3-oxoprop-1-enyl]amino]benzoate
CID 108850959
(Z)-3-(4-bromo-2-methylanilino)-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850937
(Z)-N-(4-acetamidophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108818643
(Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108860462
(Z)-3-(2-bromo-4-methylanilino)-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850936
(Z)-N-(4-butylphenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108828157
(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-[4-(dimethylamino)anilino]-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850848
(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[3-(trifluoromethyl)anilino]prop-2-enamide
CID 108850662

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide (CID 108850811) is (Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide is CCc1cccc(C)c1NC(=O)/C(C#N)=C\Nc1cc(C)on1.
What is the InChIKey of (Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
The InChIKey is NTWMGIVUDIYBNT-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-4-13-7-5-6-11(2)16(13)20-17(22)14(9-18)10-19-15-8-12(3)23-21-15/h5-8,10H,4H2,1-3H3,(H,19,21)(H,20,22)/b14-10-.
What are the key properties of (Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide has a molecular weight of 310.36 g/mol, XLogP of 3.31, 5 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-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide is sourced from PubChem (CID 108850811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).