5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide

C23H17N5O3 — CID 166185177

IUPAC5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C23H17N5O3/c29-23(24-18-7-3-6-17(12-18)22-25-27-28-26-22)21-11-10-20(31-21)14-30-19-9-8-15-4-1-2-5-16(15)13-19/h1-13H,14H2,(H,24,29)(H,25,26,27,28)
InChIKeyZKEHWEPKNSFTSN-UHFFFAOYSA-N
MW411.42 g/mol
LogP4.44
Rot. Bonds6

About 5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide

5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide (PubChem CID 166185177) has the molecular formula C23H17N5O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is 5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
PubChem CID166185177
Molecular FormulaC23H17N5O3
Molecular Weight411.42 g/mol
Exact Mass411.13
IUPAC Name5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C23H17N5O3/c29-23(24-18-7-3-6-17(12-18)22-25-27-28-26-22)21-11-10-20(31-21)14-30-19-9-8-15-4-1-2-5-16(15)13-19/h1-13H,14H2,(H,24,29)(H,25,26,27,28)
InChIKeyZKEHWEPKNSFTSN-UHFFFAOYSA-N
XLogP4.44
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 55826233
5-(naphthalen-2-yloxymethyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 717197
N-[3-(cyanomethoxy)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 55800345
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 17386602
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 46401322
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 112826396
5-(naphthalen-2-yloxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 19578864
N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 53054149
N-[4-(difluoromethylsulfonyl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 31523225
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744588

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide (CID 166185177) is 5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of 5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide?
The InChIKey is ZKEHWEPKNSFTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3/c29-23(24-18-7-3-6-17(12-18)22-25-27-28-26-22)21-11-10-20(31-21)14-30-19-9-8-15-4-1-2-5-16(15)13-19/h1-13H,14H2,(H,24,29)(H,25,26,27,28).
What are the key properties of 5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide?
5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 166185177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).