4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide

C18H17N5O3 — CID 979756

IUPAC4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide
SMILESC/C=C/c1ccc(Oc2nnnn2-c2ccc(C(N)=O)cc2)c(OC)c1
InChIInChI=1S/C18H17N5O3/c1-3-4-12-5-10-15(16(11-12)25-2)26-18-20-21-22-23(18)14-8-6-13(7-9-14)17(19)24/h3-11H,1-2H3,(H2,19,24)/b4-3+
InChIKeyHKOAZGIXJSHCJI-ONEGZZNKSA-N
MW351.37 g/mol
LogP2.60
Rot. Bonds6

About 4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide

4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide (PubChem CID 979756) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide
PubChem CID979756
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide
SMILESC/C=C/c1ccc(Oc2nnnn2-c2ccc(C(N)=O)cc2)c(OC)c1
InChIInChI=1S/C18H17N5O3/c1-3-4-12-5-10-15(16(11-12)25-2)26-18-20-21-22-23(18)14-8-6-13(7-9-14)17(19)24/h3-11H,1-2H3,(H2,19,24)/b4-3+
InChIKeyHKOAZGIXJSHCJI-ONEGZZNKSA-N
XLogP2.60
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(4-ethylphenoxy)-1H-tetrazol-1-yl]benzamide
CID 934907
(E)-3-(3-hydroxy-4-methoxyphenyl)-1-[3-(tetrazol-1-yl)phenyl]prop-2-en-1-one
CID 8814115
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide
CID 665789
3-methoxy-4-((1-phenyl-1H-tetrazol-5-yl)oxy)benzaldehyde
CID 398233
4-{5-[2-methoxy-4-(1-propen-1-yl)phenoxy]-1H-tetrazol-1-yl}benzoic acid
CID 1242030
4-{5-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-tetrazol-1-yl}benzamide
CID 1252336
1-(3,4-Dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 2617712
4-butoxy-3-methoxy-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 8035452
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 25162346
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 9684496
4-[5-(2-methoxyphenoxy)-1H-tetrazol-1-yl]benzamide
CID 935238
4-(5-phenoxy-1H-tetrazol-1-yl)benzamide
CID 1253744

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide?
The IUPAC name of 4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide (CID 979756) is 4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide is C/C=C/c1ccc(Oc2nnnn2-c2ccc(C(N)=O)cc2)c(OC)c1.
What is the InChIKey of 4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide?
The InChIKey is HKOAZGIXJSHCJI-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-3-4-12-5-10-15(16(11-12)25-2)26-18-20-21-22-23(18)14-8-6-13(7-9-14)17(19)24/h3-11H,1-2H3,(H2,19,24)/b4-3+.
What are the key properties of 4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide?
4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide has a molecular weight of 351.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrazol-1-yl]benzamide is sourced from PubChem (CID 979756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).