phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate

C15H13N5O2 — CID 69112128

IUPACphenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
SMILESCc1nnnn1-c1cccc(NC(=O)Oc2ccccc2)c1
InChIInChI=1S/C15H13N5O2/c1-11-17-18-19-20(11)13-7-5-6-12(10-13)16-15(21)22-14-8-3-2-4-9-14/h2-10H,1H3,(H,16,21)
InChIKeyCMGNYOISKAALAN-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.58
Rot. Bonds3

About phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate

phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate (PubChem CID 69112128) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
PubChem CID69112128
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Namephenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
SMILESCc1nnnn1-c1cccc(NC(=O)Oc2ccccc2)c1
InChIInChI=1S/C15H13N5O2/c1-11-17-18-19-20(11)13-7-5-6-12(10-13)16-15(21)22-14-8-3-2-4-9-14/h2-10H,1H3,(H,16,21)
InChIKeyCMGNYOISKAALAN-UHFFFAOYSA-N
XLogP2.58
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55777773
4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672862
(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55939907
4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 55677152
(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099
2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 47329361
5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 136579121
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 78864201

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate?
The IUPAC name of phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate (CID 69112128) is phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate?
The canonical SMILES for phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate is Cc1nnnn1-c1cccc(NC(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate?
The InChIKey is CMGNYOISKAALAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-11-17-18-19-20(11)13-7-5-6-12(10-13)16-15(21)22-14-8-3-2-4-9-14/h2-10H,1H3,(H,16,21).
What are the key properties of phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate?
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate has a molecular weight of 295.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate is sourced from PubChem (CID 69112128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).