ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate

C13H15N5O3 — CID 7713038

IUPACethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)Cn1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H15N5O3/c1-3-21-13(20)14-11(19)8-18-16-12(15-17-18)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,14,19,20)
InChIKeyPVJZVKHNJOJEBO-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.92
Rot. Bonds4

About ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate

ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate (PubChem CID 7713038) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
PubChem CID7713038
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Nameethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)Cn1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H15N5O3/c1-3-21-13(20)14-11(19)8-18-16-12(15-17-18)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,14,19,20)
InChIKeyPVJZVKHNJOJEBO-UHFFFAOYSA-N
XLogP0.92
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490370
ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490658
N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465644
ethyl 4-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1266768
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate
CID 1262815
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465586
N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465585
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825589
ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate
CID 36610131
N-[(2S)-1-methoxypropan-2-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465632
N-ethyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 71944277

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate (CID 7713038) is ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate is CCOC(=O)NC(=O)Cn1nnc(-c2ccc(C)cc2)n1.
What is the InChIKey of ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate?
The InChIKey is PVJZVKHNJOJEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-3-21-13(20)14-11(19)8-18-16-12(15-17-18)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,14,19,20).
What are the key properties of ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate?
ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate has a molecular weight of 289.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate is sourced from PubChem (CID 7713038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).