dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium

C19H28N5O3S+ — CID 7588210

About dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium

dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium (PubChem CID 7588210) has the molecular formula C19H28N5O3S+ and a molecular weight of 406.53 g/mol. Its IUPAC name is dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium.

Molecular Properties

• Compound Name: dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium
• PubChem CID: 7588210
• Molecular Formula: C19H28N5O3S+
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.19
• IUPAC Name: dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium
• SMILES: Cc1cc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)no1
• InChI: InChI=1S/C19H27N5O3S/c1-13-11-16(22-27-13)20-17(25)12-28-18-14-7-4-5-8-15(14)24(19(26)21-18)10-6-9-23(2)3/h11H,4-10,12H2,1-3H3,(H,20,22,25)/p+1
• InChIKey: WVAGROFWTDPJTM-UHFFFAOYSA-O
• XLogP: 0.68
• TPSA: 94.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium?

The IUPAC name of dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium (CID 7588210) is dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium.

What is the SMILES notation for dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium?

The canonical SMILES for dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium is Cc1cc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)no1.

What is the InChIKey of dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium?

The InChIKey is WVAGROFWTDPJTM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27N5O3S/c1-13-11-16(22-27-13)20-17(25)12-28-18-14-7-4-5-8-15(14)24(19(26)21-18)10-6-9-23(2)3/h11H,4-10,12H2,1-3H3,(H,20,22,25)/p+1.

What are the key properties of dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium?

dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium has a molecular weight of 406.53 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[3-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium is sourced from PubChem (CID 7588210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).