3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one

C16H17N3O3S — CID 111462825

IUPAC3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one
SMILESCc1cnc(CSc2nc3ccccc3c(=O)n2CCCO)o1
InChIInChI=1S/C16H17N3O3S/c1-11-9-17-14(22-11)10-23-16-18-13-6-3-2-5-12(13)15(21)19(16)7-4-8-20/h2-3,5-6,9,20H,4,7-8,10H2,1H3
InChIKeyFNTPRVLSTFVJNJ-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.37
Rot. Bonds6

About 3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one

3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one (PubChem CID 111462825) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one
PubChem CID111462825
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one
SMILESCc1cnc(CSc2nc3ccccc3c(=O)n2CCCO)o1
InChIInChI=1S/C16H17N3O3S/c1-11-9-17-14(22-11)10-23-16-18-13-6-3-2-5-12(13)15(21)19(16)7-4-8-20/h2-3,5-6,9,20H,4,7-8,10H2,1H3
InChIKeyFNTPRVLSTFVJNJ-UHFFFAOYSA-N
XLogP2.37
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 4825111
2-butylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 78815225
3-(3-hydroxypropyl)-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 47095161
3-butyl-2-(4-hydroxybutylsulfanyl)quinazolin-4-one
CID 110931344
2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one
CID 110931345
2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 31197062
2-[(3-bromophenyl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 18082029
2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 18195313
3-(3-hydroxypropyl)-2-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one
CID 135992436
3-(3-hydroxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 18083124
N-carbamoyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7954371
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 35056184

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one (CID 111462825) is 3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one is Cc1cnc(CSc2nc3ccccc3c(=O)n2CCCO)o1.
What is the InChIKey of 3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one?
The InChIKey is FNTPRVLSTFVJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-9-17-14(22-11)10-23-16-18-13-6-3-2-5-12(13)15(21)19(16)7-4-8-20/h2-3,5-6,9,20H,4,7-8,10H2,1H3.
What are the key properties of 3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one?
3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one has a molecular weight of 331.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 111462825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).