benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate

C15H13N5O2 — CID 122584873

IUPACbenzyl N-[4-(tetrazol-1-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)OCc1ccccc1
InChIInChI=1S/C15H13N5O2/c21-15(22-10-12-4-2-1-3-5-12)17-13-6-8-14(9-7-13)20-11-16-18-19-20/h1-9,11H,10H2,(H,17,21)
InChIKeyZQMLGCMFVNGSQW-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.41
Rot. Bonds4

About benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate

benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate (PubChem CID 122584873) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(tetrazol-1-yl)phenyl]carbamate
PubChem CID122584873
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Namebenzyl N-[4-(tetrazol-1-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)OCc1ccccc1
InChIInChI=1S/C15H13N5O2/c21-15(22-10-12-4-2-1-3-5-12)17-13-6-8-14(9-7-13)20-11-16-18-19-20/h1-9,11H,10H2,(H,17,21)
InChIKeyZQMLGCMFVNGSQW-UHFFFAOYSA-N
XLogP2.41
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenylmethoxy-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 90574013
N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide
CID 55960600
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233
2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55500018
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 26728537
2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 857306
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
2,3-dimethyl-4-oxo-4-[4-(tetrazol-1-yl)anilino]but-2-enoic acid
CID 76991541

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate (CID 122584873) is benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate is O=C(Nc1ccc(-n2cnnn2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate?
The InChIKey is ZQMLGCMFVNGSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-15(22-10-12-4-2-1-3-5-12)17-13-6-8-14(9-7-13)20-11-16-18-19-20/h1-9,11H,10H2,(H,17,21).
What are the key properties of benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate?
benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate has a molecular weight of 295.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate is sourced from PubChem (CID 122584873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).