5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide

C21H25N3O3 — CID 19466860

IUPAC5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide
SMILESCc1cccc(C)c1OCc1ccc(C(=O)NC(C)c2cn(C)nc2C)o1
InChIInChI=1S/C21H25N3O3/c1-13-7-6-8-14(2)20(13)26-12-17-9-10-19(27-17)21(25)22-15(3)18-11-24(5)23-16(18)4/h6-11,15H,12H2,1-5H3,(H,22,25)
InChIKeyFGBHKLBBUSCVHN-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.01
Rot. Bonds6

About 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide

5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide (PubChem CID 19466860) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide
PubChem CID19466860
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide
SMILESCc1cccc(C)c1OCc1ccc(C(=O)NC(C)c2cn(C)nc2C)o1
InChIInChI=1S/C21H25N3O3/c1-13-7-6-8-14(2)20(13)26-12-17-9-10-19(27-17)21(25)22-15(3)18-11-24(5)23-16(18)4/h6-11,15H,12H2,1-5H3,(H,22,25)
InChIKeyFGBHKLBBUSCVHN-UHFFFAOYSA-N
XLogP4.01
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19462894
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19466841
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19466908
5-[(2-bromophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19462845
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19462856
4-[(2-bromophenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466770
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 92614409
5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 19446949
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19288518
3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466850
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19459272
N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446793

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide (CID 19466860) is 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide is Cc1cccc(C)c1OCc1ccc(C(=O)NC(C)c2cn(C)nc2C)o1.
What is the InChIKey of 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The InChIKey is FGBHKLBBUSCVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-7-6-8-14(2)20(13)26-12-17-9-10-19(27-17)21(25)22-15(3)18-11-24(5)23-16(18)4/h6-11,15H,12H2,1-5H3,(H,22,25).
What are the key properties of 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide?
5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 19466860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).