2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one

C16H17N3O2 — CID 136560986

IUPAC2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(-c3coc(C(C)(C)C)n3)[nH]c(=O)c2c1
InChIInChI=1S/C16H17N3O2/c1-9-5-6-11-10(7-9)14(20)19-13(17-11)12-8-21-15(18-12)16(2,3)4/h5-8H,1-4H3,(H,17,19,20)
InChIKeyGSJZFSBXWFAHMB-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.18
Rot. Bonds1

About 2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one

2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one (PubChem CID 136560986) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one
PubChem CID136560986
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(-c3coc(C(C)(C)C)n3)[nH]c(=O)c2c1
InChIInChI=1S/C16H17N3O2/c1-9-5-6-11-10(7-9)14(20)19-13(17-11)12-8-21-15(18-12)16(2,3)4/h5-8H,1-4H3,(H,17,19,20)
InChIKeyGSJZFSBXWFAHMB-UHFFFAOYSA-N
XLogP3.18
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one
CID 154850422
2-(chloromethyl)-6-methyl-3H-quinazolin-4-one
CID 135715019
N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide
CID 142133755
2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one
CID 136703862
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one
CID 135958434
4-oxo-2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid
CID 167886535
actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 135999600
8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one
CID 102599004
2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one
CID 163404458
(6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 135411171
2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one
CID 137101004

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one (CID 136560986) is 2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one is Cc1ccc2nc(-c3coc(C(C)(C)C)n3)[nH]c(=O)c2c1.
What is the InChIKey of 2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one?
The InChIKey is GSJZFSBXWFAHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9-5-6-11-10(7-9)14(20)19-13(17-11)12-8-21-15(18-12)16(2,3)4/h5-8H,1-4H3,(H,17,19,20).
What are the key properties of 2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one?
2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one has a molecular weight of 283.33 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 136560986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).