5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine

C25H29N3O — CID 91427328

IUPAC5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine
SMILESCCC(C)c1cc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc2[nH]1
InChIInChI=1S/C25H29N3O/c1-3-16(2)22-15-19-13-17(9-11-21(19)27-22)18-10-12-24-23(14-18)28-25(29-24)26-20-7-5-4-6-8-20/h9-16,20,27H,3-8H2,1-2H3,(H,26,28)
InChIKeyIDCCEDIOFRUUPZ-UHFFFAOYSA-N
MW387.53 g/mol
LogP7.23
Rot. Bonds5

About 5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine

5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine (PubChem CID 91427328) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine
PubChem CID91427328
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine
SMILESCCC(C)c1cc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc2[nH]1
InChIInChI=1S/C25H29N3O/c1-3-16(2)22-15-19-13-17(9-11-21(19)27-22)18-10-12-24-23(14-18)28-25(29-24)26-20-7-5-4-6-8-20/h9-16,20,27H,3-8H2,1-2H3,(H,26,28)
InChIKeyIDCCEDIOFRUUPZ-UHFFFAOYSA-N
XLogP7.23
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine
CID 45279829
N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine
CID 68656484
5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine
CID 45279549
N-cyclohexyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 58896893
6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one
CID 70903060
N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 68658294
6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one
CID 70903063
N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine
CID 68657492
N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-amine
CID 68658124
N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
CID 139602311
N-[[4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclohexyl]methyl]butane-2-sulfonamide
CID 42601979
5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 68695754

Frequently Asked Questions

What is the IUPAC name of 5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine (CID 91427328) is 5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine is CCC(C)c1cc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc2[nH]1.
What is the InChIKey of 5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine?
The InChIKey is IDCCEDIOFRUUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-3-16(2)22-15-19-13-17(9-11-21(19)27-22)18-10-12-24-23(14-18)28-25(29-24)26-20-7-5-4-6-8-20/h9-16,20,27H,3-8H2,1-2H3,(H,26,28).
What are the key properties of 5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine?
5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine has a molecular weight of 387.53 g/mol, XLogP of 7.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 91427328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).