5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one

C19H16ClN3O2 — CID 139421463

IUPAC5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one
SMILESCc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)CO2
InChIInChI=1S/C19H16ClN3O2/c1-12-14(20)8-5-9-15(12)21-19-22-17(24)10-18-23(19)16(11-25-18)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,21,22,24)
InChIKeyQCAILBRZKTWZHU-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.93
Rot. Bonds3

About 5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one

5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one (PubChem CID 139421463) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one
PubChem CID139421463
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one
SMILESCc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)CO2
InChIInChI=1S/C19H16ClN3O2/c1-12-14(20)8-5-9-15(12)21-19-22-17(24)10-18-23(19)16(11-25-18)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,21,22,24)
InChIKeyQCAILBRZKTWZHU-UHFFFAOYSA-N
XLogP3.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one
CID 139421296
1-(3-chloro-2-methylanilino)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421645
2-(3-Chloro-2-methylanilino)-1-[(2-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290248
1-Benzyl-2-(3-chloro-2-methylanilino)-5-ethoxypyrimidin-4-one
CID 134290261
2-(3-Chloro-2-methylanilino)-5-methoxy-1-(3-phenylpropyl)pyrimidin-4-one
CID 134290324
1-Benzyl-2-(3-chloro-2-methylanilino)-5-propan-2-yloxypyrimidin-4-one
CID 134290336
2-(3-Chloro-2-methylanilino)-5-methoxy-1-(2-phenylethyl)pyrimidin-4-one
CID 134290373
1-Benzyl-2-(3-chloro-2-ethylanilino)-5-methoxypyrimidin-4-one
CID 134291231
1-Benzyl-2-(3-chloro-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134469112
1-(3-chloro-2-methylanilino)-7-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421196
6-(3-chloro-2-methylanilino)-9-methoxy-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one
CID 139421480
6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]oxazin-8-one
CID 139421486

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one?
The IUPAC name of 5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one (CID 139421463) is 5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one.
What is the SMILES notation for 5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one?
The canonical SMILES for 5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one is Cc1c(Cl)cccc1Nc1nc(=O)cc2n1C(c1ccccc1)CO2.
What is the InChIKey of 5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one?
The InChIKey is QCAILBRZKTWZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-12-14(20)8-5-9-15(12)21-19-22-17(24)10-18-23(19)16(11-25-18)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,21,22,24).
What are the key properties of 5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one?
5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one has a molecular weight of 353.81 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylanilino)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one is sourced from PubChem (CID 139421463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).