(3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one

C11H10N2O2 — CID 11367672

IUPAC(3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
SMILESC[C@@H]1COc2nc3ccccc3c(=O)n21
InChIInChI=1S/C11H10N2O2/c1-7-6-15-11-12-9-5-3-2-4-8(9)10(14)13(7)11/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyLDSHXQBCCAZEDU-SSDOTTSWSA-N
MW202.21 g/mol
LogP1.35
Rot. Bonds

About (3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one

(3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one (PubChem CID 11367672) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name(3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
PubChem CID11367672
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
SMILESC[C@@H]1COc2nc3ccccc3c(=O)n21
InChIInChI=1S/C11H10N2O2/c1-7-6-15-11-12-9-5-3-2-4-8(9)10(14)13(7)11/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyLDSHXQBCCAZEDU-SSDOTTSWSA-N
XLogP1.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-8-nitro-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
CID 13011510
3,4-dihydro-2H-[1,3]oxazino[2,3-b]quinazolin-6-one
CID 13381483
3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one
CID 154830982
2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one
CID 62409793
3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one
CID 175840653
2-chloro-3-piperidin-4-ylquinazolin-4-one
CID 117263485
13,16-dimethyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 69194624
3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735050
(1S,4S)-1-benzyl-4-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249754
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
2-(1-chloroethyl)-3-(oxan-3-yl)quinazolin-4-one
CID 63361358
6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one
CID 135453196

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one?
The IUPAC name of (3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one (CID 11367672) is (3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for (3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for (3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one is C[C@@H]1COc2nc3ccccc3c(=O)n21.
What is the InChIKey of (3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one?
The InChIKey is LDSHXQBCCAZEDU-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-6-15-11-12-9-5-3-2-4-8(9)10(14)13(7)11/h2-5,7H,6H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one?
(3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one has a molecular weight of 202.21 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 11367672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).