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

C18H23N5O3S — CID 167088661

IUPACN-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine
SMILESCC(C)c1noc2ccc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc3c12
InChIInChI=1S/C18H23N5O3S/c1-11(2)16-15-14(26-22-16)5-4-12-10-19-18(21-17(12)15)20-13-6-8-23(9-7-13)27(3,24)25/h4-5,10-11,13H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyFCIFHHREDAFKNR-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.73
Rot. Bonds4

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

N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine (PubChem CID 167088661) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine
PubChem CID167088661
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine
SMILESCC(C)c1noc2ccc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc3c12
InChIInChI=1S/C18H23N5O3S/c1-11(2)16-15-14(26-22-16)5-4-12-10-19-18(21-17(12)15)20-13-6-8-23(9-7-13)27(3,24)25/h4-5,10-11,13H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyFCIFHHREDAFKNR-UHFFFAOYSA-N
XLogP2.73
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine (CID 167088661) is N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine is CC(C)c1noc2ccc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc3c12.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine?
The InChIKey is FCIFHHREDAFKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-11(2)16-15-14(26-22-16)5-4-12-10-19-18(21-17(12)15)20-13-6-8-23(9-7-13)27(3,24)25/h4-5,10-11,13H,6-9H2,1-3H3,(H,19,20,21).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine?
N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine has a molecular weight of 389.48 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine is sourced from PubChem (CID 167088661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).