3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one

C19H15N5O2 — CID 166457918

IUPAC3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1Cc1nnc(-c2ncnc3c2CCC3)o1
InChIInChI=1S/C19H15N5O2/c25-18-12(8-11-4-1-2-6-14(11)22-18)9-16-23-24-19(26-16)17-13-5-3-7-15(13)20-10-21-17/h1-2,4,6,8,10H,3,5,7,9H2,(H,22,25)
InChIKeyUBYMHIHSUJZFJY-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.45
Rot. Bonds3

About 3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one

3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one (PubChem CID 166457918) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one
PubChem CID166457918
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1Cc1nnc(-c2ncnc3c2CCC3)o1
InChIInChI=1S/C19H15N5O2/c25-18-12(8-11-4-1-2-6-14(11)22-18)9-16-23-24-19(26-16)17-13-5-3-7-15(13)20-10-21-17/h1-2,4,6,8,10H,3,5,7,9H2,(H,22,25)
InChIKeyUBYMHIHSUJZFJY-UHFFFAOYSA-N
XLogP2.45
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-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

3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one
CID 166457858
3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one
CID 166457987
2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole
CID 137153670
3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one
CID 166457847
3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one
CID 166304795
3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one
CID 166288471
5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 154838574
(2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate
CID 70202514
3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one
CID 166457863
N-[(2-oxo-1H-quinolin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110608823
3-[[4-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]phenyl]methyl]-1H-quinolin-2-one
CID 175839152
3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one
CID 139658813

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one (CID 166457918) is 3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1Cc1nnc(-c2ncnc3c2CCC3)o1.
What is the InChIKey of 3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one?
The InChIKey is UBYMHIHSUJZFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-18-12(8-11-4-1-2-6-14(11)22-18)9-16-23-24-19(26-16)17-13-5-3-7-15(13)20-10-21-17/h1-2,4,6,8,10H,3,5,7,9H2,(H,22,25).
What are the key properties of 3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one?
3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one has a molecular weight of 345.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 166457918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).