N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide

C22H24N2O2S — CID 20916826

IUPACN-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
SMILESCCCCNC(=O)c1ccc(-c2nc(CSc3ccccc3)c(C)o2)cc1
InChIInChI=1S/C22H24N2O2S/c1-3-4-14-23-21(25)17-10-12-18(13-11-17)22-24-20(16(2)26-22)15-27-19-8-6-5-7-9-19/h5-13H,3-4,14-15H2,1-2H3,(H,23,25)
InChIKeyOIQLICYLJXLBDO-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.47
Rot. Bonds8

About N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide

N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 20916826) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
PubChem CID20916826
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
SMILESCCCCNC(=O)c1ccc(-c2nc(CSc3ccccc3)c(C)o2)cc1
InChIInChI=1S/C22H24N2O2S/c1-3-4-14-23-21(25)17-10-12-18(13-11-17)22-24-20(16(2)26-22)15-27-19-8-6-5-7-9-19/h5-13H,3-4,14-15H2,1-2H3,(H,23,25)
InChIKeyOIQLICYLJXLBDO-UHFFFAOYSA-N
XLogP5.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916829
N-butan-2-yl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916786
N-[(2-ethoxyphenyl)methyl]-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916833
N-(4-ethoxyphenyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 46277718
N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916814
4-[4-[(4-ethylphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-2-yl]benzoic acid
CID 53213346
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
CID 20916738
N-butyl-4-phenylbenzamide
CID 3637649
N-(4-chlorophenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277666

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide (CID 20916826) is N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide is CCCCNC(=O)c1ccc(-c2nc(CSc3ccccc3)c(C)o2)cc1.
What is the InChIKey of N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is OIQLICYLJXLBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-3-4-14-23-21(25)17-10-12-18(13-11-17)22-24-20(16(2)26-22)15-27-19-8-6-5-7-9-19/h5-13H,3-4,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide?
N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 380.51 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 20916826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).