N-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide

C18H24N2O2S — CID 20860291

IUPACN-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
SMILESCCC(C)NC(=O)CSCc1nc(-c2cccc(C)c2)oc1C
InChIInChI=1S/C18H24N2O2S/c1-5-13(3)19-17(21)11-23-10-16-14(4)22-18(20-16)15-8-6-7-12(2)9-15/h6-9,13H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyKFALNOZBVDPPQL-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.11
Rot. Bonds7

About N-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide

N-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide (PubChem CID 20860291) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
PubChem CID20860291
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
SMILESCCC(C)NC(=O)CSCc1nc(-c2cccc(C)c2)oc1C
InChIInChI=1S/C18H24N2O2S/c1-5-13(3)19-17(21)11-23-10-16-14(4)22-18(20-16)15-8-6-7-12(2)9-15/h6-9,13H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyKFALNOZBVDPPQL-UHFFFAOYSA-N
XLogP4.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 6619445
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 92662552
N-butan-2-yl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 134045473
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 20860046
4-methyl-1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]hexan-2-one
CID 149406146
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
N-butan-2-yl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916786
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide
CID 110620548
2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 20860061
2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 20860257
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110630113
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The IUPAC name of N-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide (CID 20860291) is N-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide is CCC(C)NC(=O)CSCc1nc(-c2cccc(C)c2)oc1C.
What is the InChIKey of N-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The InChIKey is KFALNOZBVDPPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-5-13(3)19-17(21)11-23-10-16-14(4)22-18(20-16)15-8-6-7-12(2)9-15/h6-9,13H,5,10-11H2,1-4H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
N-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide has a molecular weight of 332.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 20860291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).