tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate

C15H19N5O2 — CID 65142786

IUPACtert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C15H19N5O2/c1-15(2,3)22-14(21)16-11-6-4-10(5-7-11)13-17-18-19-20(13)12-8-9-12/h4-7,12H,8-9H2,1-3H3,(H,16,21)
InChIKeySZTYZKRMIRFYIQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate

tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate (PubChem CID 65142786) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
PubChem CID65142786
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Nametert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C15H19N5O2/c1-15(2,3)22-14(21)16-11-6-4-10(5-7-11)13-17-18-19-20(13)12-8-9-12/h4-7,12H,8-9H2,1-3H3,(H,16,21)
InChIKeySZTYZKRMIRFYIQ-UHFFFAOYSA-N
XLogP3.02
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide
CID 84759253
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246
4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline
CID 63090376
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide
CID 46548478
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 51934098
4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide
CID 30702128
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 37228950
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide
CID 87035105
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 134020195
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide
CID 55565410

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate (CID 65142786) is tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1.
What is the InChIKey of tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate?
The InChIKey is SZTYZKRMIRFYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-15(2,3)22-14(21)16-11-6-4-10(5-7-11)13-17-18-19-20(13)12-8-9-12/h4-7,12H,8-9H2,1-3H3,(H,16,21).
What are the key properties of tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate?
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate has a molecular weight of 301.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate is sourced from PubChem (CID 65142786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).