[(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid

C18H16FN5O3 — CID 176897122

IUPAC[(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid
SMILESO=C(O)NC/C(=C/F)COc1ccc(-c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H16FN5O3/c19-10-13(11-20-18(25)26)12-27-16-8-6-14(7-9-16)17-21-23-24(22-17)15-4-2-1-3-5-15/h1-10,20H,11-12H2,(H,25,26)/b13-10-
InChIKeyKFYMBESVDWFAJM-RAXLEYEMSA-N
MW369.36 g/mol
LogP2.83
Rot. Bonds7

About [(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid

[(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid (PubChem CID 176897122) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is [(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid.

Molecular Properties

Compound Name[(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid
PubChem CID176897122
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC Name[(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid
SMILESO=C(O)NC/C(=C/F)COc1ccc(-c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H16FN5O3/c19-10-13(11-20-18(25)26)12-27-16-8-6-14(7-9-16)17-21-23-24(22-17)15-4-2-1-3-5-15/h1-10,20H,11-12H2,(H,25,26)/b13-10-
InChIKeyKFYMBESVDWFAJM-RAXLEYEMSA-N
XLogP2.83
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid?
The IUPAC name of [(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid (CID 176897122) is [(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid.
What is the SMILES notation for [(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid?
The canonical SMILES for [(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid is O=C(O)NC/C(=C/F)COc1ccc(-c2nnn(-c3ccccc3)n2)cc1.
What is the InChIKey of [(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid?
The InChIKey is KFYMBESVDWFAJM-RAXLEYEMSA-N. The full InChI is InChI=1S/C18H16FN5O3/c19-10-13(11-20-18(25)26)12-27-16-8-6-14(7-9-16)17-21-23-24(22-17)15-4-2-1-3-5-15/h1-10,20H,11-12H2,(H,25,26)/b13-10-.
What are the key properties of [(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid?
[(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid has a molecular weight of 369.36 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-fluoro-2-[[4-(2-phenyltetrazol-5-yl)phenoxy]methyl]prop-2-enyl]carbamic acid is sourced from PubChem (CID 176897122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).