N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide

C15H18N2O3S — CID 42953972

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide
SMILESCc1cccc(CS(=O)CCC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C15H18N2O3S/c1-11-4-3-5-13(8-11)10-21(19)7-6-15(18)16-14-9-12(2)20-17-14/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,17,18)
InChIKeyJOJLEUNYAQJHRK-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.57
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide (PubChem CID 42953972) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide
PubChem CID42953972
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide
SMILESCc1cccc(CS(=O)CCC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C15H18N2O3S/c1-11-4-3-5-13(8-11)10-21(19)7-6-15(18)16-14-9-12(2)20-17-14/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,17,18)
InChIKeyJOJLEUNYAQJHRK-UHFFFAOYSA-N
XLogP2.57
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylsulfinyl]acetamide
CID 154772767
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118715
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
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3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109042852
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327667
3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 54905585
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
CID 44996030
2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60507720
(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94793005
3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide (CID 42953972) is N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide is Cc1cccc(CS(=O)CCC(=O)Nc2cc(C)on2)c1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide?
The InChIKey is JOJLEUNYAQJHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-4-3-5-13(8-11)10-21(19)7-6-15(18)16-14-9-12(2)20-17-14/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,17,18).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide has a molecular weight of 306.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-methylphenyl)methylsulfinyl]propanamide is sourced from PubChem (CID 42953972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).