2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H20N4O4S — CID 4852152

IUPAC2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOCC(C)n1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O
InChIInChI=1S/C18H20N4O4S/c1-11(9-25-3)22-17(24)13-6-4-5-7-14(13)19-18(22)27-10-16(23)20-15-8-12(2)26-21-15/h4-8,11H,9-10H2,1-3H3,(H,20,21,23)
InChIKeyKSGHJASJOZLDCD-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.63
Rot. Bonds7

About 2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4852152) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4852152
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOCC(C)n1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O
InChIInChI=1S/C18H20N4O4S/c1-11(9-25-3)22-17(24)13-6-4-5-7-14(13)19-18(22)27-10-16(23)20-15-8-12(2)26-21-15/h4-8,11H,9-10H2,1-3H3,(H,20,21,23)
InChIKeyKSGHJASJOZLDCD-UHFFFAOYSA-N
XLogP2.63
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-Amino-4-oxo-1-m-tolyl-1,4-dihydro-pyrimidin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 651484
2-[(3-cyclopentyl-4-oxo-3,4-dihydro-2-quinazolinyl)thio]-N-(5-methyl-3-isoxazolyl)acetamide
CID 1305053
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]thio}-N-(5-methyl-3-isoxazolyl)butanamide
CID 2941476
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2081892
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2429821
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2557016
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2563366
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2608338
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2609971
N-(5-methyl-1,2-oxazol-3-yl)-2-{[6-methyl-4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
CID 4065616
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9551951
N-(5-Methyl-isoxazol-3-yl)-2-(6-oxo-4-phenyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionamide
CID 135505414

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4852152) is 2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COCC(C)n1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is KSGHJASJOZLDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-11(9-25-3)22-17(24)13-6-4-5-7-14(13)19-18(22)27-10-16(23)20-15-8-12(2)26-21-15/h4-8,11H,9-10H2,1-3H3,(H,20,21,23).
What are the key properties of 2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 388.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4852152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).