5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide

C19H16N4O3S — CID 75496807

IUPAC5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide
SMILESCn1ccnc1SCc1ccc(C(=O)Nc2ccc(-c3ncco3)cc2)o1
InChIInChI=1S/C19H16N4O3S/c1-23-10-8-21-19(23)27-12-15-6-7-16(26-15)17(24)22-14-4-2-13(3-5-14)18-20-9-11-25-18/h2-11H,12H2,1H3,(H,22,24)
InChIKeyGSTWURMIXKJXBH-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.21
Rot. Bonds6

About 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide

5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 75496807) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide
PubChem CID75496807
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide
SMILESCn1ccnc1SCc1ccc(C(=O)Nc2ccc(-c3ncco3)cc2)o1
InChIInChI=1S/C19H16N4O3S/c1-23-10-8-21-19(23)27-12-15-6-7-16(26-15)17(24)22-14-4-2-13(3-5-14)18-20-9-11-25-18/h2-11H,12H2,1H3,(H,22,24)
InChIKeyGSTWURMIXKJXBH-UHFFFAOYSA-N
XLogP4.21
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440363
N-(3,5-dimethoxyphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440333
N-(2-hydroxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888106
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 55628529
N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888124
N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60620776
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 56502944
N-(3-methoxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060055
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 134062990
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60515907
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 112814261
N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060085

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide (CID 75496807) is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide is Cn1ccnc1SCc1ccc(C(=O)Nc2ccc(-c3ncco3)cc2)o1.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is GSTWURMIXKJXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-23-10-8-21-19(23)27-12-15-6-7-16(26-15)17(24)22-14-4-2-13(3-5-14)18-20-9-11-25-18/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide?
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 75496807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).