3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide

C14H18N4O3S — CID 71689746

IUPAC3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1ncc2c(n1)CCCC2NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C14H18N4O3S/c1-8-14(9(2)21-17-8)22(19,20)18-13-6-4-5-12-11(13)7-15-10(3)16-12/h7,13,18H,4-6H2,1-3H3
InChIKeyKKOWWENQLXWZQY-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.75
Rot. Bonds3

About 3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide (PubChem CID 71689746) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide
PubChem CID71689746
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1ncc2c(n1)CCCC2NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C14H18N4O3S/c1-8-14(9(2)21-17-8)22(19,20)18-13-6-4-5-12-11(13)7-15-10(3)16-12/h7,13,18H,4-6H2,1-3H3
InChIKeyKKOWWENQLXWZQY-UHFFFAOYSA-N
XLogP1.75
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide (CID 71689746) is 3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide is Cc1ncc2c(n1)CCCC2NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of 3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide?
The InChIKey is KKOWWENQLXWZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-8-14(9(2)21-17-8)22(19,20)18-13-6-4-5-12-11(13)7-15-10(3)16-12/h7,13,18H,4-6H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 71689746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).