1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one

C10H12N2O2 — CID 59774556

IUPAC1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one
SMILESCC(C)N1C(=O)OCc2cccnc21
InChIInChI=1S/C10H12N2O2/c1-7(2)12-9-8(4-3-5-11-9)6-14-10(12)13/h3-5,7H,6H2,1-2H3
InChIKeyUOQSTGZZOWWNTD-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.95
Rot. Bonds1

About 1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one

1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one (PubChem CID 59774556) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one
PubChem CID59774556
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one
SMILESCC(C)N1C(=O)OCc2cccnc21
InChIInChI=1S/C10H12N2O2/c1-7(2)12-9-8(4-3-5-11-9)6-14-10(12)13/h3-5,7H,6H2,1-2H3
InChIKeyUOQSTGZZOWWNTD-UHFFFAOYSA-N
XLogP1.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one?
The IUPAC name of 1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one (CID 59774556) is 1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one.
What is the SMILES notation for 1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one?
The canonical SMILES for 1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one is CC(C)N1C(=O)OCc2cccnc21.
What is the InChIKey of 1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one?
The InChIKey is UOQSTGZZOWWNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7(2)12-9-8(4-3-5-11-9)6-14-10(12)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one?
1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one is sourced from PubChem (CID 59774556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).