N-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine

C22H23N3O — CID 68656663

IUPACN-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
SMILESCn1ccc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc21
InChIInChI=1S/C22H23N3O/c1-25-12-11-17-13-15(7-9-20(17)25)16-8-10-21-19(14-16)24-22(26-21)23-18-5-3-2-4-6-18/h7-14,18H,2-6H2,1H3,(H,23,24)
InChIKeyAKTNZMGRTJYCJQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.73
Rot. Bonds3

About N-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine

N-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine (PubChem CID 68656663) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
PubChem CID68656663
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
SMILESCn1ccc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc21
InChIInChI=1S/C22H23N3O/c1-25-12-11-17-13-15(7-9-20(17)25)16-8-10-21-19(14-16)24-22(26-21)23-18-5-3-2-4-6-18/h7-14,18H,2-6H2,1H3,(H,23,24)
InChIKeyAKTNZMGRTJYCJQ-UHFFFAOYSA-N
XLogP5.73
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ontazolast
CID 71458
(2S)-2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)propan-2-yl]propanamide
CID 11294227
(S)-2-(Benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide
CID 11316876
N-(4-Ethylphenyl)-5-methylbenzo[d]oxazol-2-amine
CID 24759786
Ethyl 3-phenyl-2-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]propanoate
CID 44383735
1-Methyl-6-(5-phenyl-oxazol-2-ylamino)-1H-indole-3-carbonitrile
CID 510918
N-(2-cyclohexyl-1-pyridin-2-ylethyl)-5-methyl-1,3-benzoxazol-2-amine
CID 6916044
N-[(1R)-2-cyclohexyl-1-pyridin-2-ylethyl]-5-methyl-1,3-benzoxazol-2-amine
CID 9862559
N-(2-cyclohexyl-1-phenylethyl)-1,3-benzoxazol-2-amine
CID 10064642
N-(2-cyclohexyl-1-phenylethyl)-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 10428758
methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 15603280
N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 15603614

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine (CID 68656663) is N-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine is Cn1ccc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc21.
What is the InChIKey of N-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
The InChIKey is AKTNZMGRTJYCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-25-12-11-17-13-15(7-9-20(17)25)16-8-10-21-19(14-16)24-22(26-21)23-18-5-3-2-4-6-18/h7-14,18H,2-6H2,1H3,(H,23,24).
What are the key properties of N-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
N-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine has a molecular weight of 345.45 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 68656663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).