3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one

C18H16N4O3 — CID 166457987

IUPAC3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one
SMILESCc1noc(C)c1Cc1nnc(Cc2cc3ccccc3[nH]c2=O)o1
InChIInChI=1S/C18H16N4O3/c1-10-14(11(2)25-22-10)9-17-21-20-16(24-17)8-13-7-12-5-3-4-6-15(12)19-18(13)23/h3-7H,8-9H2,1-2H3,(H,19,23)
InChIKeyGQYGXAAYHZPWSD-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.70
Rot. Bonds4

About 3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one

3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one (PubChem CID 166457987) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one
PubChem CID166457987
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one
SMILESCc1noc(C)c1Cc1nnc(Cc2cc3ccccc3[nH]c2=O)o1
InChIInChI=1S/C18H16N4O3/c1-10-14(11(2)25-22-10)9-17-21-20-16(24-17)8-13-7-12-5-3-4-6-15(12)19-18(13)23/h3-7H,8-9H2,1-2H3,(H,19,23)
InChIKeyGQYGXAAYHZPWSD-UHFFFAOYSA-N
XLogP2.70
TPSA97.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one
CID 166457858
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
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole
CID 11550369
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
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110331051
3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one
CID 166457863
3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one
CID 103934132
3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one
CID 139658813
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate
CID 31880676
3-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
CID 104599995

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one (CID 166457987) is 3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one is Cc1noc(C)c1Cc1nnc(Cc2cc3ccccc3[nH]c2=O)o1.
What is the InChIKey of 3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one?
The InChIKey is GQYGXAAYHZPWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-10-14(11(2)25-22-10)9-17-21-20-16(24-17)8-13-7-12-5-3-4-6-15(12)19-18(13)23/h3-7H,8-9H2,1-2H3,(H,19,23).
What are the key properties of 3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one?
3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one has a molecular weight of 336.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 166457987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).