2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one

C18H16N4O3 — CID 137205106

IUPAC2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
SMILESCc1noc(C)c1-c1ccc2nc(-c3c(C)noc3C)[nH]c(=O)c2c1
InChIInChI=1S/C18H16N4O3/c1-8-15(10(3)24-21-8)12-5-6-14-13(7-12)18(23)20-17(19-14)16-9(2)22-25-11(16)4/h5-7H,1-4H3,(H,19,20,23)
InChIKeySCRYQLABPIPZLZ-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.47
Rot. Bonds2

About 2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one

2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one (PubChem CID 137205106) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
PubChem CID137205106
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
SMILESCc1noc(C)c1-c1ccc2nc(-c3c(C)noc3C)[nH]c(=O)c2c1
InChIInChI=1S/C18H16N4O3/c1-8-15(10(3)24-21-8)12-5-6-14-13(7-12)18(23)20-17(19-14)16-9(2)22-25-11(16)4/h5-7H,1-4H3,(H,19,20,23)
InChIKeySCRYQLABPIPZLZ-UHFFFAOYSA-N
XLogP3.47
TPSA97.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one
CID 137314667
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
CID 135755223
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid
CID 71247346
2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63613128
6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one
CID 142331155
2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135996660
7-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalen-1-ol
CID 155969514
6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazoline-2-carboxamide
CID 175898277
2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 53225038
5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrimidin-6-one
CID 66312195
4-(1H-indazol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 118937091
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one?
The IUPAC name of 2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one (CID 137205106) is 2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one is Cc1noc(C)c1-c1ccc2nc(-c3c(C)noc3C)[nH]c(=O)c2c1.
What is the InChIKey of 2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one?
The InChIKey is SCRYQLABPIPZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-8-15(10(3)24-21-8)12-5-6-14-13(7-12)18(23)20-17(19-14)16-9(2)22-25-11(16)4/h5-7H,1-4H3,(H,19,20,23).
What are the key properties of 2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one?
2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one has a molecular weight of 336.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 137205106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).