(1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate

C14H16N4O2 — CID 60602109

IUPAC(1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate
SMILESO=C(OCc1nnnn1-c1ccccc1)C1CCCC1
InChIInChI=1S/C14H16N4O2/c19-14(11-6-4-5-7-11)20-10-13-15-16-17-18(13)12-8-2-1-3-9-12/h1-3,8-9,11H,4-7,10H2
InChIKeySMUGPMNHISGOCK-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.90
Rot. Bonds4

About (1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate

(1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate (PubChem CID 60602109) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate.

Molecular Properties

Compound Name(1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate
PubChem CID60602109
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate
SMILESO=C(OCc1nnnn1-c1ccccc1)C1CCCC1
InChIInChI=1S/C14H16N4O2/c19-14(11-6-4-5-7-11)20-10-13-15-16-17-18(13)12-8-2-1-3-9-12/h1-3,8-9,11H,4-7,10H2
InChIKeySMUGPMNHISGOCK-UHFFFAOYSA-N
XLogP1.90
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 31314529
(1-phenyltetrazol-5-yl)methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 27344350
(1-phenyltetrazol-5-yl)methyl 3-methyl-2,3-dihydro-1-benzofuran-2-carboxylate
CID 56805973
(1-phenyltetrazol-5-yl)methyl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 8934004
(3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 97126070
(2S,3aR,7aS)-1-[(1-phenyltetrazol-5-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125144052
(1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 38910486
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
2-methoxy-1-[2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]ethanone
CID 56804516
2-amino-3-(1-phenyltetrazol-5-yl)propanoic acid
CID 75365740
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
phenyl-[(2S)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95332947

Frequently Asked Questions

What is the IUPAC name of (1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate?
The IUPAC name of (1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate (CID 60602109) is (1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate.
What is the SMILES notation for (1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate?
The canonical SMILES for (1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate is O=C(OCc1nnnn1-c1ccccc1)C1CCCC1.
What is the InChIKey of (1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate?
The InChIKey is SMUGPMNHISGOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-14(11-6-4-5-7-11)20-10-13-15-16-17-18(13)12-8-2-1-3-9-12/h1-3,8-9,11H,4-7,10H2.
What are the key properties of (1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate?
(1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate has a molecular weight of 272.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate is sourced from PubChem (CID 60602109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).