3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole

C14H22NOP — CID 101334310

IUPAC3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole
SMILESCC1(c2noc(C3(C)CCCC3)p2)CCCC1
InChIInChI=1S/C14H22NOP/c1-13(7-3-4-8-13)11-15-16-12(17-11)14(2)9-5-6-10-14/h3-10H2,1-2H3
InChIKeyWALQQXYQKSSBSG-UHFFFAOYSA-N
MW251.31 g/mol
LogP4.92
Rot. Bonds2

About 3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole

3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole (PubChem CID 101334310) has the molecular formula C14H22NOP and a molecular weight of 251.31 g/mol. Its IUPAC name is 3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole.

Molecular Properties

Compound Name3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole
PubChem CID101334310
Molecular FormulaC14H22NOP
Molecular Weight251.31 g/mol
Exact Mass251.14
IUPAC Name3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole
SMILESCC1(c2noc(C3(C)CCCC3)p2)CCCC1
InChIInChI=1S/C14H22NOP/c1-13(7-3-4-8-13)11-15-16-12(17-11)14(2)9-5-6-10-14/h3-10H2,1-2H3
InChIKeyWALQQXYQKSSBSG-UHFFFAOYSA-N
XLogP4.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine
CID 15488402
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole
CID 102661074
3-(1-methylcyclopentyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115041080
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
3-(1-chloropropyl)-5-(1-methylcyclohexyl)-1,2,4-oxadiazole
CID 106827745
N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 106828749
3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115032883
1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-ol
CID 130742055
4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole
CID 141167685
5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid
CID 115026295
5-(3-methyl-1,1-dioxothian-3-yl)-1,2,4-oxadiazol-3-amine
CID 115038269

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole?
The IUPAC name of 3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole (CID 101334310) is 3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole.
What is the SMILES notation for 3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole?
The canonical SMILES for 3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole is CC1(c2noc(C3(C)CCCC3)p2)CCCC1.
What is the InChIKey of 3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole?
The InChIKey is WALQQXYQKSSBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NOP/c1-13(7-3-4-8-13)11-15-16-12(17-11)14(2)9-5-6-10-14/h3-10H2,1-2H3.
What are the key properties of 3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole?
3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole has a molecular weight of 251.31 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole is sourced from PubChem (CID 101334310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).