methane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid

C17H19N5O3 — CID 161066134

IUPACmethane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid
SMILESC.O=C(O)COc1ccc(CNc2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C16H15N5O3.CH4/c22-15(23)10-24-14-7-1-11(2-8-14)9-17-13-5-3-12(4-6-13)16-18-20-21-19-16;/h1-8,17H,9-10H2,(H,22,23)(H,18,19,20,21);1H4
InChIKeyUEAWKGDSWFSPAW-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.58
Rot. Bonds7

About methane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid

methane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid (PubChem CID 161066134) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is methane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Namemethane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid
PubChem CID161066134
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Namemethane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid
SMILESC.O=C(O)COc1ccc(CNc2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C16H15N5O3.CH4/c22-15(23)10-24-14-7-1-11(2-8-14)9-17-13-5-3-12(4-6-13)16-18-20-21-19-16;/h1-8,17H,9-10H2,(H,22,23)(H,18,19,20,21);1H4
InChIKeyUEAWKGDSWFSPAW-UHFFFAOYSA-N
XLogP2.58
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid?
The IUPAC name of methane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid (CID 161066134) is methane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid.
What is the SMILES notation for methane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid?
The canonical SMILES for methane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid is C.O=C(O)COc1ccc(CNc2ccc(-c3nn[nH]n3)cc2)cc1.
What is the InChIKey of methane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid?
The InChIKey is UEAWKGDSWFSPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3.CH4/c22-15(23)10-24-14-7-1-11(2-8-14)9-17-13-5-3-12(4-6-13)16-18-20-21-19-16;/h1-8,17H,9-10H2,(H,22,23)(H,18,19,20,21);1H4.
What are the key properties of methane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid?
methane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid has a molecular weight of 341.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 161066134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).