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

C10H11N5O2 — CID 17164270

IUPACethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C10H11N5O2/c1-2-17-10(16)11-8-5-3-4-7(6-8)9-12-14-15-13-9/h3-6H,2H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyDWQNCICSKIOVTJ-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.44
Rot. Bonds3

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

ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate (PubChem CID 17164270) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
PubChem CID17164270
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Nameethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C10H11N5O2/c1-2-17-10(16)11-8-5-3-4-7(6-8)9-12-14-15-13-9/h3-6H,2H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyDWQNCICSKIOVTJ-UHFFFAOYSA-N
XLogP1.44
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate
CID 5380
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 115431915
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 110720294

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate (CID 17164270) is ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate is CCOC(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate?
The InChIKey is DWQNCICSKIOVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-2-17-10(16)11-8-5-3-4-7(6-8)9-12-14-15-13-9/h3-6H,2H2,1H3,(H,11,16)(H,12,13,14,15).
What are the key properties of ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate?
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate has a molecular weight of 233.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate is sourced from PubChem (CID 17164270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).