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

C14H11ClN4O2 — CID 108860462

IUPAC(Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
SMILESCc1cc(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)no1
InChIInChI=1S/C14H11ClN4O2/c1-9-5-13(19-21-9)17-8-10(7-16)14(20)18-12-4-2-3-11(15)6-12/h2-6,8H,1H3,(H,17,19)(H,18,20)/b10-8-
InChIKeyKXGCGLCTIZRCEK-NTMALXAHSA-N
MW302.72 g/mol
LogP3.09
Rot. Bonds4

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

(Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide (PubChem CID 108860462) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is (Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
PubChem CID108860462
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name(Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
SMILESCc1cc(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)no1
InChIInChI=1S/C14H11ClN4O2/c1-9-5-13(19-21-9)17-8-10(7-16)14(20)18-12-4-2-3-11(15)6-12/h2-6,8H,1H3,(H,17,19)(H,18,20)/b10-8-
InChIKeyKXGCGLCTIZRCEK-NTMALXAHSA-N
XLogP3.09
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.09
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)-N-(3-chlorophenyl)-2-cyano-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)-3-(3-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920705
(Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108860625
N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47204376
(Z)-N-(3-chlorophenyl)-2-cyano-3-[(3-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108860570
(Z)-3-(3-chloroanilino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816915
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2,5-dimethylanilino)prop-2-enamide
CID 46920697
(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108850811
(Z)-3-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 170917863
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-hydroxyanilino)prop-2-enamide
CID 108860407
(Z)-3-(2-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920704
ethyl 4-[[(Z)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enoyl]amino]benzoate
CID 108824057

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
The IUPAC name of (Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide (CID 108860462) is (Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
The canonical SMILES for (Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide is Cc1cc(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)no1.
What is the InChIKey of (Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
The InChIKey is KXGCGLCTIZRCEK-NTMALXAHSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-9-5-13(19-21-9)17-8-10(7-16)14(20)18-12-4-2-3-11(15)6-12/h2-6,8H,1H3,(H,17,19)(H,18,20)/b10-8-.
What are the key properties of (Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide?
(Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide has a molecular weight of 302.72 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide is sourced from PubChem (CID 108860462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).