1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one

C17H22N4O3 — CID 167846544

IUPAC1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one
SMILESO=c1n(Cc2ccc(OC3CCOC3)cc2)nnn1C1CCCC1
InChIInChI=1S/C17H22N4O3/c22-17-20(18-19-21(17)14-3-1-2-4-14)11-13-5-7-15(8-6-13)24-16-9-10-23-12-16/h5-8,14,16H,1-4,9-12H2
InChIKeyKYICDONUXFITMM-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.77
Rot. Bonds5

About 1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one

1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one (PubChem CID 167846544) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one
PubChem CID167846544
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one
SMILESO=c1n(Cc2ccc(OC3CCOC3)cc2)nnn1C1CCCC1
InChIInChI=1S/C17H22N4O3/c22-17-20(18-19-21(17)14-3-1-2-4-14)11-13-5-7-15(8-6-13)24-16-9-10-23-12-16/h5-8,14,16H,1-4,9-12H2
InChIKeyKYICDONUXFITMM-UHFFFAOYSA-N
XLogP1.77
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-[[4-(oxan-4-yl)-5-oxotetrazol-1-yl]methyl]-1,3-benzoxazol-2-one
CID 166274647
phenyl 3-[4-(oxan-4-yl)-5-oxotetrazol-1-yl]propanoate
CID 166373850
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63557924
(3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane
CID 141288000
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
N-cyclopentyl-2-methoxy-N-[[4-(oxolan-3-yloxy)phenyl]methyl]acetamide
CID 45239699
(3S)-3-(4-propylphenoxy)oxane
CID 178142370
(3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane
CID 118457980
(4aR,8aS)-1-[(4-cyclohexyloxyphenyl)methyl]-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]oxazin-2-one
CID 25173531
3-[4-(3-chloroprop-1-ynyl)phenoxy]oxolane
CID 63563998
1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117371340

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one?
The IUPAC name of 1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one (CID 167846544) is 1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one.
What is the SMILES notation for 1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one?
The canonical SMILES for 1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one is O=c1n(Cc2ccc(OC3CCOC3)cc2)nnn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one?
The InChIKey is KYICDONUXFITMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-17-20(18-19-21(17)14-3-1-2-4-14)11-13-5-7-15(8-6-13)24-16-9-10-23-12-16/h5-8,14,16H,1-4,9-12H2.
What are the key properties of 1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one?
1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one has a molecular weight of 330.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[4-(oxolan-3-yloxy)phenyl]methyl]tetrazol-5-one is sourced from PubChem (CID 167846544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).