5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide

C19H22N2O3S — CID 4692095

IUPAC5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(CSc2nc3c(C)cccc3o2)o1
InChIInChI=1S/C19H22N2O3S/c1-3-4-5-11-20-18(22)16-10-9-14(23-16)12-25-19-21-17-13(2)7-6-8-15(17)24-19/h6-10H,3-5,11-12H2,1-2H3,(H,20,22)
InChIKeyIVQNMUAMANYUIM-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.94
Rot. Bonds8

About 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide

5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide (PubChem CID 4692095) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide
PubChem CID4692095
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(CSc2nc3c(C)cccc3o2)o1
InChIInChI=1S/C19H22N2O3S/c1-3-4-5-11-20-18(22)16-10-9-14(23-16)12-25-19-21-17-13(2)7-6-8-15(17)24-19/h6-10H,3-5,11-12H2,1-2H3,(H,20,22)
InChIKeyIVQNMUAMANYUIM-UHFFFAOYSA-N
XLogP4.94
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 42771845
dimethyl-[2-[[5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carbonyl]amino]ethyl]azanium
CID 7328120
5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2R)-4-phenylbutan-2-yl]furan-2-carboxamide
CID 1200833
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 1200793
N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide
CID 7493434
(4-benzhydrylpiperazin-1-yl)-[5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 1200787
N-pentyl-5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
CID 42763760
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1200873
3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 7236992
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 1200810
3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 811225

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide?
The IUPAC name of 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide (CID 4692095) is 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide is CCCCCNC(=O)c1ccc(CSc2nc3c(C)cccc3o2)o1.
What is the InChIKey of 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide?
The InChIKey is IVQNMUAMANYUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-4-5-11-20-18(22)16-10-9-14(23-16)12-25-19-21-17-13(2)7-6-8-15(17)24-19/h6-10H,3-5,11-12H2,1-2H3,(H,20,22).
What are the key properties of 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide?
5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide is sourced from PubChem (CID 4692095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).