5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide

C17H20N2O3S — CID 72719907

IUPAC5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC1(Sc2ccccc2)CCOCC1
InChIInChI=1S/C17H20N2O3S/c1-13-15(11-19-22-13)16(20)18-12-17(7-9-21-10-8-17)23-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,18,20)
InChIKeyMOPUMSDDERAAFE-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.05
Rot. Bonds5

About 5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 72719907) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID72719907
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC1(Sc2ccccc2)CCOCC1
InChIInChI=1S/C17H20N2O3S/c1-13-15(11-19-22-13)16(20)18-12-17(7-9-21-10-8-17)23-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,18,20)
InChIKeyMOPUMSDDERAAFE-UHFFFAOYSA-N
XLogP3.05
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
CID 72716994
2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
CID 90523291
3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide
CID 90604624
2-ethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]butanamide
CID 90604592
N-methyl-N'-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604785
2,2-dimethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]propanamide
CID 90604589
3-(2-chlorophenyl)-5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 72717000
1-cyclopropyl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 90604890
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443407
1-benzhydryl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 72717034
N-[(1-hydroxycycloheptyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65122812
N'-(4-acetamidophenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604856

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide (CID 72719907) is 5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCC1(Sc2ccccc2)CCOCC1.
What is the InChIKey of 5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is MOPUMSDDERAAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13-15(11-19-22-13)16(20)18-12-17(7-9-21-10-8-17)23-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,18,20).
What are the key properties of 5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 72719907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).