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

C19H22N2O3S — CID 3386621

IUPAC5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide
SMILESCc1ccc2oc(SCc3ccc(C(=O)NCCC(C)C)o3)nc2c1
InChIInChI=1S/C19H22N2O3S/c1-12(2)8-9-20-18(22)17-7-5-14(23-17)11-25-19-21-15-10-13(3)4-6-16(15)24-19/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,22)
InChIKeyDIEGTXSXFTZEII-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.80
Rot. Bonds7

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

5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide (PubChem CID 3386621) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide
PubChem CID3386621
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide
SMILESCc1ccc2oc(SCc3ccc(C(=O)NCCC(C)C)o3)nc2c1
InChIInChI=1S/C19H22N2O3S/c1-12(2)8-9-20-18(22)17-7-5-14(23-17)11-25-19-21-15-10-13(3)4-6-16(15)24-19/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,22)
InChIKeyDIEGTXSXFTZEII-UHFFFAOYSA-N
XLogP4.80
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 4039834
5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 4618163
diethyl-[(4R)-4-[[5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carbonyl]amino]pentyl]azanium
CID 7413313
N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 1200759
N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 1200778
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 1200839
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1200873
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
CID 110773848
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide
CID 5176726
N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 42771845
N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 177370191
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide
CID 3648620

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide?
The IUPAC name of 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide (CID 3386621) is 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide?
The canonical SMILES for 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide is Cc1ccc2oc(SCc3ccc(C(=O)NCCC(C)C)o3)nc2c1.
What is the InChIKey of 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide?
The InChIKey is DIEGTXSXFTZEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12(2)8-9-20-18(22)17-7-5-14(23-17)11-25-19-21-15-10-13(3)4-6-16(15)24-19/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,22).
What are the key properties of 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide?
5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide is sourced from PubChem (CID 3386621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).