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

C20H19N3O — CID 68658294

IUPACN-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
SMILESCn1ccc2cc(-c3ccc4oc(NC5CCC5)nc4c3)ccc21
InChIInChI=1S/C20H19N3O/c1-23-10-9-15-11-13(5-7-18(15)23)14-6-8-19-17(12-14)22-20(24-19)21-16-3-2-4-16/h5-12,16H,2-4H2,1H3,(H,21,22)
InChIKeyRXWJNLGQKNMIJG-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.95
Rot. Bonds3

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

N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine (PubChem CID 68658294) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
PubChem CID68658294
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
SMILESCn1ccc2cc(-c3ccc4oc(NC5CCC5)nc4c3)ccc21
InChIInChI=1S/C20H19N3O/c1-23-10-9-15-11-13(5-7-18(15)23)14-6-8-19-17(12-14)22-20(24-19)21-16-3-2-4-16/h5-12,16H,2-4H2,1H3,(H,21,22)
InChIKeyRXWJNLGQKNMIJG-UHFFFAOYSA-N
XLogP4.95
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ontazolast
CID 71458
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)-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 10428758
N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 15603614
Benzoxazole derivative 1
CID 45109843
1-((1H-indol-4-yl)methyl)-9-(benzo[d]oxazol-2-yl)-1,9-diazaspiro[5.5]undecan-2-one
CID 53259635
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
CID 70798412
N-(2-Ethylphenyl)-5-methylbenzo[d]oxazol-2-amine
CID 52940635

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine (CID 68658294) is N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine is Cn1ccc2cc(-c3ccc4oc(NC5CCC5)nc4c3)ccc21.
What is the InChIKey of N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
The InChIKey is RXWJNLGQKNMIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-23-10-9-15-11-13(5-7-18(15)23)14-6-8-19-17(12-14)22-20(24-19)21-16-3-2-4-16/h5-12,16H,2-4H2,1H3,(H,21,22).
What are the key properties of N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine?
N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine has a molecular weight of 317.39 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 68658294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).