5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide

C14H12N2O4S — CID 99705506

IUPAC5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc3[nH]c(=S)oc3c2)o1
InChIInChI=1S/C14H12N2O4S/c1-18-7-9-3-5-11(19-9)13(17)15-8-2-4-10-12(6-8)20-14(21)16-10/h2-6H,7H2,1H3,(H,15,17)(H,16,21)
InChIKeyGVDMCZPSHLNWBQ-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.48
Rot. Bonds4

About 5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide

5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide (PubChem CID 99705506) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide
PubChem CID99705506
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc3[nH]c(=S)oc3c2)o1
InChIInChI=1S/C14H12N2O4S/c1-18-7-9-3-5-11(19-9)13(17)15-8-2-4-10-12(6-8)20-14(21)16-10/h2-6H,7H2,1H3,(H,15,17)(H,16,21)
InChIKeyGVDMCZPSHLNWBQ-UHFFFAOYSA-N
XLogP3.48
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(methoxymethyl)-N-(2-methyl-1H-indol-5-yl)furan-2-carboxamide
CID 86930455
5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86913717
N-(4-amino-3-methoxyphenyl)-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 99580914
N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide
CID 78882500
3-propan-2-yloxy-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide
CID 99717112
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
N-(9H-fluoren-2-yl)-5-(methoxymethyl)furan-2-carboxamide
CID 86912034
5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide
CID 78878517
3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 120541443
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78888813
N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 99717205
6-(methylamino)-3H-1,3-benzoxazole-2-thione
CID 59864377

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide (CID 99705506) is 5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide is COCc1ccc(C(=O)Nc2ccc3[nH]c(=S)oc3c2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide?
The InChIKey is GVDMCZPSHLNWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-18-7-9-3-5-11(19-9)13(17)15-8-2-4-10-12(6-8)20-14(21)16-10/h2-6H,7H2,1H3,(H,15,17)(H,16,21).
What are the key properties of 5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide?
5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)furan-2-carboxamide is sourced from PubChem (CID 99705506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).