3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide

C19H20N2O2S — CID 811225

IUPAC3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide
SMILESCc1cccc2oc(SCc3cccc(C(=O)NC(C)C)c3)nc12
InChIInChI=1S/C19H20N2O2S/c1-12(2)20-18(22)15-8-5-7-14(10-15)11-24-19-21-17-13(3)6-4-9-16(17)23-19/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyFUIVHBVLLJKAAD-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.57
Rot. Bonds5

About 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide

3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide (PubChem CID 811225) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide
PubChem CID811225
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide
SMILESCc1cccc2oc(SCc3cccc(C(=O)NC(C)C)c3)nc12
InChIInChI=1S/C19H20N2O2S/c1-12(2)20-18(22)15-8-5-7-14(10-15)11-24-19-21-17-13(3)6-4-9-16(17)23-19/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyFUIVHBVLLJKAAD-UHFFFAOYSA-N
XLogP4.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 7236992
N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide
CID 7493434
3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 42771885
1-[4-[3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone
CID 5243267
5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2R)-4-phenylbutan-2-yl]furan-2-carboxamide
CID 1200833
[4-(2-chlorophenyl)piperazin-1-yl]-[3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]methanone
CID 5211155
N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 42771845
N-ethoxy-2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide
CID 3982998
dimethyl-[2-[[5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carbonyl]amino]ethyl]azanium
CID 7328120
2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 1200755
2-[(3-methylphenyl)methylsulfanyl]-1,3-benzoxazol-4-amine
CID 79883047
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide
CID 4990452

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide (CID 811225) is 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide is Cc1cccc2oc(SCc3cccc(C(=O)NC(C)C)c3)nc12.
What is the InChIKey of 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide?
The InChIKey is FUIVHBVLLJKAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12(2)20-18(22)15-8-5-7-14(10-15)11-24-19-21-17-13(3)6-4-9-16(17)23-19/h4-10,12H,11H2,1-3H3,(H,20,22).
What are the key properties of 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide?
3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 811225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).