5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C23H25N3O4S — CID 45228784

IUPAC5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1OCc1cc(C(=O)N(Cc2ccncc2)CC2CCCO2)no1
InChIInChI=1S/C23H25N3O4S/c1-31-22-7-3-2-6-21(22)29-16-19-13-20(25-30-19)23(27)26(15-18-5-4-12-28-18)14-17-8-10-24-11-9-17/h2-3,6-11,13,18H,4-5,12,14-16H2,1H3
InChIKeyNSZFJIADGLHEAZ-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.19
Rot. Bonds9

About 5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 45228784) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID45228784
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1OCc1cc(C(=O)N(Cc2ccncc2)CC2CCCO2)no1
InChIInChI=1S/C23H25N3O4S/c1-31-22-7-3-2-6-21(22)29-16-19-13-20(25-30-19)23(27)26(15-18-5-4-12-28-18)14-17-8-10-24-11-9-17/h2-3,6-11,13,18H,4-5,12,14-16H2,1H3
InChIKeyNSZFJIADGLHEAZ-UHFFFAOYSA-N
XLogP4.19
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24792134
5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 90648755
N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 26322660
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42288730
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42595324
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 25292090
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95283628
1-methyl-5-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)carbamoyl]pyrrole-2-carboxylic acid
CID 166275346
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 51177762
3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 97347862
N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95146887

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 45228784) is 5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide is CSc1ccccc1OCc1cc(C(=O)N(Cc2ccncc2)CC2CCCO2)no1.
What is the InChIKey of 5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NSZFJIADGLHEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-31-22-7-3-2-6-21(22)29-16-19-13-20(25-30-19)23(27)26(15-18-5-4-12-28-18)14-17-8-10-24-11-9-17/h2-3,6-11,13,18H,4-5,12,14-16H2,1H3.
What are the key properties of 5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45228784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).