N-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine

C24H25N3O2 — CID 68657958

IUPACN-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine
SMILESc1cc2c(ccn2C2COC2)cc1-c1ccc2oc(NC3CCCCC3)nc2c1
InChIInChI=1S/C24H25N3O2/c1-2-4-19(5-3-1)25-24-26-21-13-17(7-9-23(21)29-24)16-6-8-22-18(12-16)10-11-27(22)20-14-28-15-20/h6-13,19-20H,1-5,14-15H2,(H,25,26)
InChIKeyATNLCKBJTFOCRR-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.77
Rot. Bonds4

About N-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine

N-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine (PubChem CID 68657958) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine
PubChem CID68657958
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine
SMILESc1cc2c(ccn2C2COC2)cc1-c1ccc2oc(NC3CCCCC3)nc2c1
InChIInChI=1S/C24H25N3O2/c1-2-4-19(5-3-1)25-24-26-21-13-17(7-9-23(21)29-24)16-6-8-22-18(12-16)10-11-27(22)20-14-28-15-20/h6-13,19-20H,1-5,14-15H2,(H,25,26)
InChIKeyATNLCKBJTFOCRR-UHFFFAOYSA-N
XLogP5.77
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine (CID 68657958) is N-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine is c1cc2c(ccn2C2COC2)cc1-c1ccc2oc(NC3CCCCC3)nc2c1.
What is the InChIKey of N-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine?
The InChIKey is ATNLCKBJTFOCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-2-4-19(5-3-1)25-24-26-21-13-17(7-9-23(21)29-24)16-6-8-22-18(12-16)10-11-27(22)20-14-28-15-20/h6-13,19-20H,1-5,14-15H2,(H,25,26).
What are the key properties of N-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine?
N-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine has a molecular weight of 387.48 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[1-(oxetan-3-yl)indol-5-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 68657958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).