3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one

C24H31N3O2 — CID 152877042

IUPAC3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(C1CCCCC1)(N1CCNCC1)C(=O)C2
InChIInChI=1S/C24H31N3O2/c1-16-23(17(2)29-26-16)19-9-8-18-15-22(28)24(21(18)14-19,20-6-4-3-5-7-20)27-12-10-25-11-13-27/h8-9,14,20,25H,3-7,10-13,15H2,1-2H3
InChIKeyUAPYZYRAJNFXBB-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.76
Rot. Bonds3

About 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one

3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one (PubChem CID 152877042) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one.

Molecular Properties

Compound Name3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one
PubChem CID152877042
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(C1CCCCC1)(N1CCNCC1)C(=O)C2
InChIInChI=1S/C24H31N3O2/c1-16-23(17(2)29-26-16)19-9-8-18-15-22(28)24(21(18)14-19,20-6-4-3-5-7-20)27-12-10-25-11-13-27/h8-9,14,20,25H,3-7,10-13,15H2,1-2H3
InChIKeyUAPYZYRAJNFXBB-UHFFFAOYSA-N
XLogP3.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one
CID 148832001
3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one
CID 86281108
3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(Z)-2-hydroxyprop-1-enyl]amino]-1H-indol-2-one
CID 138538690
3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-hydroxypropan-2-ylamino)-1H-indol-2-one
CID 118691555
(3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 123131593
3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole
CID 167890240
7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethyl-1-phenyl-4H-isoquinolin-3-one
CID 158134141
9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 86295675
tert-butyl 3-[[(S)-tert-butylsulfinyl]amino]-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxoindole-1-carboxylate;sulfane
CID 162228460
6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one
CID 154948653
6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one
CID 142331155
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one
CID 144546360

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one?
The IUPAC name of 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one (CID 152877042) is 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one.
What is the SMILES notation for 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one?
The canonical SMILES for 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(C1CCCCC1)(N1CCNCC1)C(=O)C2.
What is the InChIKey of 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one?
The InChIKey is UAPYZYRAJNFXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-16-23(17(2)29-26-16)19-9-8-18-15-22(28)24(21(18)14-19,20-6-4-3-5-7-20)27-12-10-25-11-13-27/h8-9,14,20,25H,3-7,10-13,15H2,1-2H3.
What are the key properties of 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one?
3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one has a molecular weight of 393.53 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-piperazin-1-yl-1H-inden-2-one is sourced from PubChem (CID 152877042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).