4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane

C13H16ClN5O — CID 136569374

IUPAC4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane
SMILESClc1ccc(Cn2nnnc2N2CCCOCC2)cc1
InChIInChI=1S/C13H16ClN5O/c14-12-4-2-11(3-5-12)10-19-13(15-16-17-19)18-6-1-8-20-9-7-18/h2-5H,1,6-10H2
InChIKeySODYWTKFXJSFFI-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.60
Rot. Bonds3

About 4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane

4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane (PubChem CID 136569374) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane
PubChem CID136569374
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane
SMILESClc1ccc(Cn2nnnc2N2CCCOCC2)cc1
InChIInChI=1S/C13H16ClN5O/c14-12-4-2-11(3-5-12)10-19-13(15-16-17-19)18-6-1-8-20-9-7-18/h2-5H,1,6-10H2
InChIKeySODYWTKFXJSFFI-UHFFFAOYSA-N
XLogP1.60
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[(3-methoxyphenyl)methyl]tetrazol-5-yl]-1,4-oxazepane
CID 136569391
4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine
CID 648488
4-(5-chloro-2-pyridinyl)-1,4-oxazepane
CID 66234346
2-[4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 63786659
4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine
CID 138054075
4-(5-chloropyrimidin-2-yl)-1,4-oxazepane
CID 134160397
4-[4-(bromomethyl)phenyl]-1,4-oxazepane
CID 107082990
4-chloro-2-(1,4-oxazepan-4-yl)benzaldehyde
CID 114844265
[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
CID 114845567
[1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol
CID 154769882
4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine
CID 649087
3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine
CID 82228424

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane?
The IUPAC name of 4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane (CID 136569374) is 4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane.
What is the SMILES notation for 4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane?
The canonical SMILES for 4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane is Clc1ccc(Cn2nnnc2N2CCCOCC2)cc1.
What is the InChIKey of 4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane?
The InChIKey is SODYWTKFXJSFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c14-12-4-2-11(3-5-12)10-19-13(15-16-17-19)18-6-1-8-20-9-7-18/h2-5H,1,6-10H2.
What are the key properties of 4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane?
4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane has a molecular weight of 293.76 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-1,4-oxazepane is sourced from PubChem (CID 136569374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).