9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one

C25H25ClN4O2 — CID 67251608

IUPAC9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3cc(Cl)ccc3o1)CC2
InChIInChI=1S/C25H25ClN4O2/c26-18-6-7-22-21(14-18)28-24(32-22)29-12-9-25(10-13-29)8-3-11-30(23(25)31)16-17-15-27-20-5-2-1-4-19(17)20/h1-2,4-7,14-15,27H,3,8-13,16H2
InChIKeyVDNLUZHGEVTZNA-UHFFFAOYSA-N
MW448.95 g/mol
LogP5.37
Rot. Bonds3

About 9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one

9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 67251608) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID67251608
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3cc(Cl)ccc3o1)CC2
InChIInChI=1S/C25H25ClN4O2/c26-18-6-7-22-21(14-18)28-24(32-22)29-12-9-25(10-13-29)8-3-11-30(23(25)31)16-17-15-27-20-5-2-1-4-19(17)20/h1-2,4-7,14-15,27H,3,8-13,16H2
InChIKeyVDNLUZHGEVTZNA-UHFFFAOYSA-N
XLogP5.37
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 67251608) is 9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one is O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3cc(Cl)ccc3o1)CC2.
What is the InChIKey of 9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is VDNLUZHGEVTZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c26-18-6-7-22-21(14-18)28-24(32-22)29-12-9-25(10-13-29)8-3-11-30(23(25)31)16-17-15-27-20-5-2-1-4-19(17)20/h1-2,4-7,14-15,27H,3,8-13,16H2.
What are the key properties of 9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 448.95 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 67251608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).