2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide

C16H20N2O2S — CID 24684627

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1SCc1c(C)noc1C
InChIInChI=1S/C16H20N2O2S/c1-4-9-17-16(19)13-7-5-6-8-15(13)21-10-14-11(2)18-20-12(14)3/h5-8H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyWDITZLBVMKFSKA-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.72
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide (PubChem CID 24684627) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide
PubChem CID24684627
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1SCc1c(C)noc1C
InChIInChI=1S/C16H20N2O2S/c1-4-9-17-16(19)13-7-5-6-8-15(13)21-10-14-11(2)18-20-12(14)3/h5-8H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyWDITZLBVMKFSKA-UHFFFAOYSA-N
XLogP3.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 2811699
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-prop-2-enylbenzamide
CID 24249184
2-(((3-methyl-1,2-oxazol-5-yl)methyl)sulfanyl)-N-(2-((2-nitro-4-(trifluoromethyl)phenyl)amino)ethyl)benzamide
CID 40135492
5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 2165768
5-N-benzyl-4-N-[2-(dimethylamino)ethyl]-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide
CID 16682175
5-N-benzyl-3-(phenylsulfanylmethyl)-4-N-propyl-1,2-oxazole-4,5-dicarboxamide
CID 16682177
N5-(phenylmethyl)-3-[(phenylthio)methyl]-N4-propan-2-ylisoxazole-4,5-dicarboxamide
CID 16682180
3-[(3,4-difluorophenyl)sulfanylmethyl]-4-N,5-N-bis(3-methylbutyl)-1,2-oxazole-4,5-dicarboxamide
CID 16682200
5-N-benzyl-4-N-(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide
CID 16745504
4-N,5-N-dibutyl-3-[(3,5-dimethylphenyl)sulfanylmethyl]-1,2-oxazole-4,5-dicarboxamide
CID 23640766
3-[(4-fluorophenyl)sulfanylmethyl]-4-N,5-N-bis(3-methylbutyl)-1,2-oxazole-4,5-dicarboxamide
CID 23641015
4-N,5-N-bis(cyclopropylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide
CID 24747797

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide (CID 24684627) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide is CCCNC(=O)c1ccccc1SCc1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide?
The InChIKey is WDITZLBVMKFSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-9-17-16(19)13-7-5-6-8-15(13)21-10-14-11(2)18-20-12(14)3/h5-8H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide has a molecular weight of 304.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-propylbenzamide is sourced from PubChem (CID 24684627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).