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

C19H25N5O3S — CID 167088719

IUPAC6-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine
SMILESCc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2c2c(C(C)C)noc12
InChIInChI=1S/C19H25N5O3S/c1-11(2)16-15-17-13(9-12(3)18(15)27-23-16)10-20-19(22-17)21-14-5-7-24(8-6-14)28(4,25)26/h9-11,14H,5-8H2,1-4H3,(H,20,21,22)
InChIKeyWQIITJQRBLEBPL-UHFFFAOYSA-N
MW403.51 g/mol
LogP3.04
Rot. Bonds4

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

6-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine (PubChem CID 167088719) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 6-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine
PubChem CID167088719
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name6-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine
SMILESCc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2c2c(C(C)C)noc12
InChIInChI=1S/C19H25N5O3S/c1-11(2)16-15-17-13(9-12(3)18(15)27-23-16)10-20-19(22-17)21-14-5-7-24(8-6-14)28(4,25)26/h9-11,14H,5-8H2,1-4H3,(H,20,21,22)
InChIKeyWQIITJQRBLEBPL-UHFFFAOYSA-N
XLogP3.04
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine?
The IUPAC name of 6-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine (CID 167088719) is 6-methyl-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-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine?
The canonical SMILES for 6-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine is Cc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2c2c(C(C)C)noc12.
What is the InChIKey of 6-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine?
The InChIKey is WQIITJQRBLEBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-11(2)16-15-17-13(9-12(3)18(15)27-23-16)10-20-19(22-17)21-14-5-7-24(8-6-14)28(4,25)26/h9-11,14H,5-8H2,1-4H3,(H,20,21,22).
What are the key properties of 6-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine?
6-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine has a molecular weight of 403.51 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine is sourced from PubChem (CID 167088719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).