3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one

C23H23N5O3 — CID 170504907

IUPAC3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one
SMILESO=C(CCn1c(=O)[nH]c2ccccc21)N1CCc2oc(CCc3cccnc3)nc2C1
InChIInChI=1S/C23H23N5O3/c29-22(10-13-28-19-6-2-1-5-17(19)26-23(28)30)27-12-9-20-18(15-27)25-21(31-20)8-7-16-4-3-11-24-14-16/h1-6,11,14H,7-10,12-13,15H2,(H,26,30)
InChIKeyLOWSIQKWSSSWED-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.47
Rot. Bonds6

About 3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one

3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one (PubChem CID 170504907) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one
PubChem CID170504907
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one
SMILESO=C(CCn1c(=O)[nH]c2ccccc21)N1CCc2oc(CCc3cccnc3)nc2C1
InChIInChI=1S/C23H23N5O3/c29-22(10-13-28-19-6-2-1-5-17(19)26-23(28)30)27-12-9-20-18(15-27)25-21(31-20)8-7-16-4-3-11-24-14-16/h1-6,11,14H,7-10,12-13,15H2,(H,26,30)
InChIKeyLOWSIQKWSSSWED-UHFFFAOYSA-N
XLogP2.47
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one 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

1-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 170511993
1,3-benzoxazol-2-yl-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170512891
[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 170503368
(5-methyl-1,2-oxazol-3-yl)-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169419113
formic acid;N-[2-oxo-2-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]acetamide
CID 171338669
1-[4-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-1-yl]ethanone
CID 169413357
(5-hydroxy-3-pyridinyl)-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170511016
(6-amino-2-pyridinyl)-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170508314
3-[3-oxo-3-(2-pyridin-3-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)propyl]-1H-benzimidazol-2-one
CID 162628970
[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 169420646
[5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170505859
1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169415488

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one (CID 170504907) is 3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one is O=C(CCn1c(=O)[nH]c2ccccc21)N1CCc2oc(CCc3cccnc3)nc2C1.
What is the InChIKey of 3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one?
The InChIKey is LOWSIQKWSSSWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c29-22(10-13-28-19-6-2-1-5-17(19)26-23(28)30)27-12-9-20-18(15-27)25-21(31-20)8-7-16-4-3-11-24-14-16/h1-6,11,14H,7-10,12-13,15H2,(H,26,30).
What are the key properties of 3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one?
3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one has a molecular weight of 417.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 170504907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).