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

C15H22N2O2S — CID 30699472

IUPACN-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C15H22N2O2S/c1-9-13(10(2)19-17-9)7-20-8-14(18)16-15(11-3-4-11)12-5-6-12/h11-12,15H,3-8H2,1-2H3,(H,16,18)
InChIKeyYYMLVTMJSDFSDM-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.83
Rot. Bonds7

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

N-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 30699472) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID30699472
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C15H22N2O2S/c1-9-13(10(2)19-17-9)7-20-8-14(18)16-15(11-3-4-11)12-5-6-12/h11-12,15H,3-8H2,1-2H3,(H,16,18)
InChIKeyYYMLVTMJSDFSDM-UHFFFAOYSA-N
XLogP2.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (CID 30699472) is N-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is Cc1noc(C)c1CSCC(=O)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is YYMLVTMJSDFSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-9-13(10(2)19-17-9)7-20-8-14(18)16-15(11-3-4-11)12-5-6-12/h11-12,15H,3-8H2,1-2H3,(H,16,18).
What are the key properties of N-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
N-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 294.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 30699472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).