4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone

C27H31N5O3 — CID 177135037

IUPAC4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCCC2)c2ccccc21.Oc1ccc(-c2noc(C3CCCCC3)n2)cc1
InChIInChI=1S/C14H16N2O2.C13H15N3O/c17-12-8-6-10(7-9-12)13-15-14(18-16-13)11-4-2-1-3-5-11;1-15-11-7-3-2-6-10(11)12(14-15)13(17)16-8-4-5-9-16/h6-9,11,17H,1-5H2;2-3,6-7H,4-5,8-9H2,1H3
InChIKeyGKMWSCPCZJNHFJ-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.30
Rot. Bonds3

About 4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone

4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 177135037) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID177135037
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCCC2)c2ccccc21.Oc1ccc(-c2noc(C3CCCCC3)n2)cc1
InChIInChI=1S/C14H16N2O2.C13H15N3O/c17-12-8-6-10(7-9-12)13-15-14(18-16-13)11-4-2-1-3-5-11;1-15-11-7-3-2-6-10(11)12(14-15)13(17)16-8-4-5-9-16/h6-9,11,17H,1-5H2;2-3,6-7H,4-5,8-9H2,1H3
InChIKeyGKMWSCPCZJNHFJ-UHFFFAOYSA-N
XLogP5.30
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
CID 177135035
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 126892556
[1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone
CID 50780510
(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019723
cyclopropyl-[3-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 127868766
[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 53140931
(3,5-dimethylphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051382
(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116391
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 1456159

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of 4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone (CID 177135037) is 4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for 4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for 4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone is Cn1nc(C(=O)N2CCCC2)c2ccccc21.Oc1ccc(-c2noc(C3CCCCC3)n2)cc1.
What is the InChIKey of 4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is GKMWSCPCZJNHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.C13H15N3O/c17-12-8-6-10(7-9-12)13-15-14(18-16-13)11-4-2-1-3-5-11;1-15-11-7-3-2-6-10(11)12(14-15)13(17)16-8-4-5-9-16/h6-9,11,17H,1-5H2;2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone?
4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 473.58 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenol;(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 177135037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).