[3-(2H-tetrazol-5-yl)phenyl] carbamate

C8H7N5O2 — CID 174326535

IUPAC[3-(2H-tetrazol-5-yl)phenyl] carbamate
SMILESNC(=O)Oc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C8H7N5O2/c9-8(14)15-6-3-1-2-5(4-6)7-10-12-13-11-7/h1-4H,(H2,9,14)(H,10,11,12,13)
InChIKeyCXOVYXZBIHXZMN-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.32
Rot. Bonds2

About [3-(2H-tetrazol-5-yl)phenyl] carbamate

[3-(2H-tetrazol-5-yl)phenyl] carbamate (PubChem CID 174326535) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is [3-(2H-tetrazol-5-yl)phenyl] carbamate.

Molecular Properties

Compound Name[3-(2H-tetrazol-5-yl)phenyl] carbamate
PubChem CID174326535
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name[3-(2H-tetrazol-5-yl)phenyl] carbamate
SMILESNC(=O)Oc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C8H7N5O2/c9-8(14)15-6-3-1-2-5(4-6)7-10-12-13-11-7/h1-4H,(H2,9,14)(H,10,11,12,13)
InChIKeyCXOVYXZBIHXZMN-UHFFFAOYSA-N
XLogP0.32
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725
[4-[5-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl] carbamate
CID 175429363
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide
CID 106166243
5-(3-tert-butylphenyl)-2H-tetrazole
CID 22972916
3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid
CID 53427079
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide
CID 67161060
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
butyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate
CID 5380
2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204

Frequently Asked Questions

What is the IUPAC name of [3-(2H-tetrazol-5-yl)phenyl] carbamate?
The IUPAC name of [3-(2H-tetrazol-5-yl)phenyl] carbamate (CID 174326535) is [3-(2H-tetrazol-5-yl)phenyl] carbamate.
What is the SMILES notation for [3-(2H-tetrazol-5-yl)phenyl] carbamate?
The canonical SMILES for [3-(2H-tetrazol-5-yl)phenyl] carbamate is NC(=O)Oc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of [3-(2H-tetrazol-5-yl)phenyl] carbamate?
The InChIKey is CXOVYXZBIHXZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c9-8(14)15-6-3-1-2-5(4-6)7-10-12-13-11-7/h1-4H,(H2,9,14)(H,10,11,12,13).
What are the key properties of [3-(2H-tetrazol-5-yl)phenyl] carbamate?
[3-(2H-tetrazol-5-yl)phenyl] carbamate has a molecular weight of 205.18 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2H-tetrazol-5-yl)phenyl] carbamate is sourced from PubChem (CID 174326535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).