[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate

C19H21N5O3 — CID 122505888

IUPAC[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate
SMILESCCc1nnnn1-c1cc(OC(=O)NCCO)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C19H21N5O3/c1-3-18-21-22-23-24(18)16-10-15(14-6-4-13(2)5-7-14)11-17(12-16)27-19(26)20-8-9-25/h4-7,10-12,25H,3,8-9H2,1-2H3,(H,20,26)
InChIKeySOGNGHWXXWPOHE-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.28
Rot. Bonds6

About [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate

[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate (PubChem CID 122505888) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate
PubChem CID122505888
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate
SMILESCCc1nnnn1-c1cc(OC(=O)NCCO)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C19H21N5O3/c1-3-18-21-22-23-24(18)16-10-15(14-6-4-13(2)5-7-14)11-17(12-16)27-19(26)20-8-9-25/h4-7,10-12,25H,3,8-9H2,1-2H3,(H,20,26)
InChIKeySOGNGHWXXWPOHE-UHFFFAOYSA-N
XLogP2.28
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 122505918
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate
CID 122505839
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(2R)-1-methoxypropan-2-yl]carbamate
CID 122505838
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamate
CID 122635658
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate
CID 122635642
[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-hydroxypropan-2-yl)carbamate
CID 122505872
[3-(4-methylphenyl)-5-(5-propyltetrazol-1-yl)phenyl] N-[(2R)-1-methoxypropan-2-yl]carbamate
CID 122505945
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 122505851
[3-[5-(methoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-methoxypropan-2-yl)carbamate
CID 122505841
[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate
CID 122505964
[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[(2-ethylpyrazol-3-yl)methyl]carbamate
CID 122635622
[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(hydroxymethyl)cyclopropyl]carbamate
CID 122505965

Frequently Asked Questions

What is the IUPAC name of [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate?
The IUPAC name of [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate (CID 122505888) is [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate?
The canonical SMILES for [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate is CCc1nnnn1-c1cc(OC(=O)NCCO)cc(-c2ccc(C)cc2)c1.
What is the InChIKey of [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate?
The InChIKey is SOGNGHWXXWPOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-3-18-21-22-23-24(18)16-10-15(14-6-4-13(2)5-7-14)11-17(12-16)27-19(26)20-8-9-25/h4-7,10-12,25H,3,8-9H2,1-2H3,(H,20,26).
What are the key properties of [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate?
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate has a molecular weight of 367.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 122505888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).