6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine

C19H23F2N5O3S — CID 167088710

IUPAC6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine
SMILESCC(C)c1noc2c(C(F)F)cc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc3c12
InChIInChI=1S/C19H23F2N5O3S/c1-10(2)15-14-16-11(8-13(18(20)21)17(14)29-25-15)9-22-19(24-16)23-12-4-6-26(7-5-12)30(3,27)28/h8-10,12,18H,4-7H2,1-3H3,(H,22,23,24)
InChIKeyAZYQVHANOGPVQX-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.67
Rot. Bonds5

About 6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine

6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine (PubChem CID 167088710) has the molecular formula C19H23F2N5O3S and a molecular weight of 439.49 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine.

Molecular Properties

Compound Name6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine
PubChem CID167088710
Molecular FormulaC19H23F2N5O3S
Molecular Weight439.49 g/mol
Exact Mass439.15
IUPAC Name6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine
SMILESCC(C)c1noc2c(C(F)F)cc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc3c12
InChIInChI=1S/C19H23F2N5O3S/c1-10(2)15-14-16-11(8-13(18(20)21)17(14)29-25-15)9-22-19(24-16)23-12-4-6-26(7-5-12)30(3,27)28/h8-10,12,18H,4-7H2,1-3H3,(H,22,23,24)
InChIKeyAZYQVHANOGPVQX-UHFFFAOYSA-N
XLogP3.67
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine?
The IUPAC name of 6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine (CID 167088710) is 6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine.
What is the SMILES notation for 6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine?
The canonical SMILES for 6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine is CC(C)c1noc2c(C(F)F)cc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc3c12.
What is the InChIKey of 6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine?
The InChIKey is AZYQVHANOGPVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O3S/c1-10(2)15-14-16-11(8-13(18(20)21)17(14)29-25-15)9-22-19(24-16)23-12-4-6-26(7-5-12)30(3,27)28/h8-10,12,18H,4-7H2,1-3H3,(H,22,23,24).
What are the key properties of 6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine?
6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine has a molecular weight of 439.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine is sourced from PubChem (CID 167088710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).