1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile

C24H22N4O2 — CID 141418557

IUPAC1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile
SMILESCc1noc(C)c1-c1ccc2[nH]c3cc(C(=O)N4CCC(C#N)CC4)ccc3c2c1
InChIInChI=1S/C24H22N4O2/c1-14-23(15(2)30-27-14)17-4-6-21-20(11-17)19-5-3-18(12-22(19)26-21)24(29)28-9-7-16(13-25)8-10-28/h3-6,11-12,16,26H,7-10H2,1-2H3
InChIKeyYNFKAJSUKIAWJG-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.97
Rot. Bonds2

About 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile

1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile (PubChem CID 141418557) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile
PubChem CID141418557
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile
SMILESCc1noc(C)c1-c1ccc2[nH]c3cc(C(=O)N4CCC(C#N)CC4)ccc3c2c1
InChIInChI=1S/C24H22N4O2/c1-14-23(15(2)30-27-14)17-4-6-21-20(11-17)19-5-3-18(12-22(19)26-21)24(29)28-9-7-16(13-25)8-10-28/h3-6,11-12,16,26H,7-10H2,1-2H3
InChIKeyYNFKAJSUKIAWJG-UHFFFAOYSA-N
XLogP4.97
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile (CID 141418557) is 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile is Cc1noc(C)c1-c1ccc2[nH]c3cc(C(=O)N4CCC(C#N)CC4)ccc3c2c1.
What is the InChIKey of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile?
The InChIKey is YNFKAJSUKIAWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-14-23(15(2)30-27-14)17-4-6-21-20(11-17)19-5-3-18(12-22(19)26-21)24(29)28-9-7-16(13-25)8-10-28/h3-6,11-12,16,26H,7-10H2,1-2H3.
What are the key properties of 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile?
1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile has a molecular weight of 398.47 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile is sourced from PubChem (CID 141418557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).