N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C19H16N2O4S — CID 1200759

IUPACN-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCc1ccc2nc(SCc3ccc(C(=O)NCc4ccco4)o3)oc2c1
InChIInChI=1S/C19H16N2O4S/c1-12-4-6-15-17(9-12)25-19(21-15)26-11-14-5-7-16(24-14)18(22)20-10-13-3-2-8-23-13/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyKHUDXHBGQCHGNR-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.54
Rot. Bonds6

About N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 1200759) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
PubChem CID1200759
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCc1ccc2nc(SCc3ccc(C(=O)NCc4ccco4)o3)oc2c1
InChIInChI=1S/C19H16N2O4S/c1-12-4-6-15-17(9-12)25-19(21-15)26-11-14-5-7-16(24-14)18(22)20-10-13-3-2-8-23-13/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyKHUDXHBGQCHGNR-UHFFFAOYSA-N
XLogP4.54
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 4618163
N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 1200778
5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide
CID 3386621
N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 4039834
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1200873
5-amino-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 82344099
diethyl-[(4R)-4-[[5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carbonyl]amino]pentyl]azanium
CID 7413313
5-[[4-[cyclohexyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42824968
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-(furan-2-ylmethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461282
N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 47061692
5-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42825146

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 1200759) is N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide is Cc1ccc2nc(SCc3ccc(C(=O)NCc4ccco4)o3)oc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is KHUDXHBGQCHGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-12-4-6-15-17(9-12)25-19(21-15)26-11-14-5-7-16(24-14)18(22)20-10-13-3-2-8-23-13/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 1200759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).