(E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide

C21H26N4O2 — CID 9186886

IUPAC(E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide
SMILESCc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)c2C)no1
InChIInChI=1S/C21H26N4O2/c1-13-7-5-6-8-19(13)23-21(26)18(12-22)11-17-9-14(2)25(16(17)4)20-10-15(3)27-24-20/h9-11,13,19H,5-8H2,1-4H3,(H,23,26)/b18-11+/t13-,19+/m0/s1
InChIKeySNZFCJYRLTZFCT-FLZGMFNASA-N
MW366.47 g/mol
LogP3.99
Rot. Bonds4

About (E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide

(E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide (PubChem CID 9186886) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide
PubChem CID9186886
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide
SMILESCc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)c2C)no1
InChIInChI=1S/C21H26N4O2/c1-13-7-5-6-8-19(13)23-21(26)18(12-22)11-17-9-14(2)25(16(17)4)20-10-15(3)27-24-20/h9-11,13,19H,5-8H2,1-4H3,(H,23,26)/b18-11+/t13-,19+/m0/s1
InChIKeySNZFCJYRLTZFCT-FLZGMFNASA-N
XLogP3.99
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.99
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'}

Analyze (E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]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

(E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
CID 9186878
(Z)-2-cyano-N-cyclohexyl-3-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)prop-2-enamide
CID 126242063
2-amino-4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]buta-1,3-diene-1,1,3-tricarbonitrile
CID 71902492
(E)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 8862474
prop-2-enyl (E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enoate
CID 9211150
2-cyano-N-cyclohexyl-3-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide
CID 3432072
2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 3844717
(Z)-2-cyano-3-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 44784690
2-cyano-3-[3-[2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]phenyl]-N-(2-methylcyclohexyl)prop-2-enamide
CID 4617152
(E)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7481078
(E)-2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enenitrile
CID 9334852
(E)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]-3-pyridin-4-ylprop-2-enamide
CID 7040869

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide (CID 9186886) is (E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide is Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)c2C)no1.
What is the InChIKey of (E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide?
The InChIKey is SNZFCJYRLTZFCT-FLZGMFNASA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13-7-5-6-8-19(13)23-21(26)18(12-22)11-17-9-14(2)25(16(17)4)20-10-15(3)27-24-20/h9-11,13,19H,5-8H2,1-4H3,(H,23,26)/b18-11+/t13-,19+/m0/s1.
What are the key properties of (E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide?
(E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide has a molecular weight of 366.47 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide is sourced from PubChem (CID 9186886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).