2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide

C19H26N2O2S — CID 86963539

IUPAC2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide
SMILESCCSC(C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1)C(C)C
InChIInChI=1S/C19H26N2O2S/c1-6-24-17(13(4)5)18(22)21-15-9-7-14(8-10-15)19-20-11-16(23-19)12(2)3/h7-13,17H,6H2,1-5H3,(H,21,22)
InChIKeyNYJITRWPUZADNO-UHFFFAOYSA-N
MW346.50 g/mol
LogP5.18
Rot. Bonds7

About 2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide

2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide (PubChem CID 86963539) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide
PubChem CID86963539
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide
SMILESCCSC(C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1)C(C)C
InChIInChI=1S/C19H26N2O2S/c1-6-24-17(13(4)5)18(22)21-15-9-7-14(8-10-15)19-20-11-16(23-19)12(2)3/h7-13,17H,6H2,1-5H3,(H,21,22)
InChIKeyNYJITRWPUZADNO-UHFFFAOYSA-N
XLogP5.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea
CID 111463122
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-ethylsulfanyl-3-methylbutanamide
CID 120566631
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide
CID 100671914
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide
CID 86963602
N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
CID 86964206
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide
CID 86963534
1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea
CID 100691281
2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155678
1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide
CID 86964171
1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 86963542
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide
CID 86963595
4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 86963597

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide?
The IUPAC name of 2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide (CID 86963539) is 2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide.
What is the SMILES notation for 2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide?
The canonical SMILES for 2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide is CCSC(C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1)C(C)C.
What is the InChIKey of 2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide?
The InChIKey is NYJITRWPUZADNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-6-24-17(13(4)5)18(22)21-15-9-7-14(8-10-15)19-20-11-16(23-19)12(2)3/h7-13,17H,6H2,1-5H3,(H,21,22).
What are the key properties of 2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide?
2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide has a molecular weight of 346.50 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3-methyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 86963539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).