5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide

C20H17N5O3 — CID 43845083

IUPAC5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)o1
InChIInChI=1S/C20H17N5O3/c1-14-5-2-3-8-18(14)27-12-17-9-10-19(28-17)20(26)22-15-6-4-7-16(11-15)25-13-21-23-24-25/h2-11,13H,12H2,1H3,(H,22,26)
InChIKeySYZHINLQFHYRBQ-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.40
Rot. Bonds6

About 5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide

5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide (PubChem CID 43845083) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
PubChem CID43845083
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)o1
InChIInChI=1S/C20H17N5O3/c1-14-5-2-3-8-18(14)27-12-17-9-10-19(28-17)20(26)22-15-6-4-7-16(11-15)25-13-21-23-24-25/h2-11,13H,12H2,1H3,(H,22,26)
InChIKeySYZHINLQFHYRBQ-UHFFFAOYSA-N
XLogP3.40
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983
5-[(2-cyanophenoxy)methyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]furan-2-carboxamide
CID 55871417
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
3-phenylmethoxy-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 146021794
5-[(2-methoxyphenoxy)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]furan-2-carboxamide
CID 55760488
5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
CID 19453386
5-[(2-methylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19455098
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19410192
N-[4-(2-methylphenoxy)but-2-ynyl]-3-(tetrazol-1-yl)benzamide
CID 90575079
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19284024
N-(7-methoxyquinolin-3-yl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95744848
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19338279

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide (CID 43845083) is 5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide is Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)o1.
What is the InChIKey of 5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is SYZHINLQFHYRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-14-5-2-3-8-18(14)27-12-17-9-10-19(28-17)20(26)22-15-6-4-7-16(11-15)25-13-21-23-24-25/h2-11,13H,12H2,1H3,(H,22,26).
What are the key properties of 5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenoxy)methyl]-N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 43845083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).