N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide

C19H24N2O3S — CID 86907274

IUPACN-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CSCc2c(C)noc2C)C2CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-13-18(14(2)24-20-13)11-25-12-19(22)21(16-6-7-16)10-15-4-8-17(23-3)9-5-15/h4-5,8-9,16H,6-7,10-12H2,1-3H3
InChIKeyYOWUPOGMTRRPLY-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.72
Rot. Bonds8

About N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide

N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 86907274) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID86907274
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CSCc2c(C)noc2C)C2CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-13-18(14(2)24-20-13)11-25-12-19(22)21(16-6-7-16)10-15-4-8-17(23-3)9-5-15/h4-5,8-9,16H,6-7,10-12H2,1-3H3
InChIKeyYOWUPOGMTRRPLY-UHFFFAOYSA-N
XLogP3.72
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811217
N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 30832396
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 33080733
2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 9298853
N-cyclopropyl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 18144168
N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide
CID 33342953
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 8807115
N-cyclopropyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 31784558
2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 9298858

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 86907274) is N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)CSCc2c(C)noc2C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is YOWUPOGMTRRPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-18(14(2)24-20-13)11-25-12-19(22)21(16-6-7-16)10-15-4-8-17(23-3)9-5-15/h4-5,8-9,16H,6-7,10-12H2,1-3H3.
What are the key properties of N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 86907274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).