(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide

C22H32N4O2 — CID 86904127

IUPAC(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
SMILESCc1cc(/C=C/C(=O)NCCc2nc(C(C)C)no2)c(C)n1C1CCCCC1
InChIInChI=1S/C22H32N4O2/c1-15(2)22-24-21(28-25-22)12-13-23-20(27)11-10-18-14-16(3)26(17(18)4)19-8-6-5-7-9-19/h10-11,14-15,19H,5-9,12-13H2,1-4H3,(H,23,27)/b11-10+
InChIKeyMSVRWPRECONUEQ-ZHACJKMWSA-N
MW384.52 g/mol
LogP4.49
Rot. Bonds7

About (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide

(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide (PubChem CID 86904127) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
PubChem CID86904127
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
SMILESCc1cc(/C=C/C(=O)NCCc2nc(C(C)C)no2)c(C)n1C1CCCCC1
InChIInChI=1S/C22H32N4O2/c1-15(2)22-24-21(28-25-22)12-13-23-20(27)11-10-18-14-16(3)26(17(18)4)19-8-6-5-7-9-19/h10-11,14-15,19H,5-9,12-13H2,1-4H3,(H,23,27)/b11-10+
InChIKeyMSVRWPRECONUEQ-ZHACJKMWSA-N
XLogP4.49
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9302019
1-cyclopentyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 72879168
(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide
CID 9163414
(E)-3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]prop-2-enamide
CID 49033078
3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)prop-2-en-1-one
CID 76877958
(E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
CID 86904126
(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 51866191
3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 76870933
(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]prop-2-enamide
CID 26977476
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111722412
(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 55972722
(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoic acid
CID 6235481

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide (CID 86904127) is (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide is Cc1cc(/C=C/C(=O)NCCc2nc(C(C)C)no2)c(C)n1C1CCCCC1.
What is the InChIKey of (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide?
The InChIKey is MSVRWPRECONUEQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-15(2)22-24-21(28-25-22)12-13-23-20(27)11-10-18-14-16(3)26(17(18)4)19-8-6-5-7-9-19/h10-11,14-15,19H,5-9,12-13H2,1-4H3,(H,23,27)/b11-10+.
What are the key properties of (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide?
(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide has a molecular weight of 384.52 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 86904127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).