4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole

C15H24N2O — CID 115054022

IUPAC4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
SMILESc1noc(CC2CCCN2)c1C1CCCCCC1
InChIInChI=1S/C15H24N2O/c1-2-4-7-12(6-3-1)14-11-17-18-15(14)10-13-8-5-9-16-13/h11-13,16H,1-10H2
InChIKeyCYKYFCJKVKYNBS-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.41
Rot. Bonds3

About 4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole

4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole (PubChem CID 115054022) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
PubChem CID115054022
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
SMILESc1noc(CC2CCCN2)c1C1CCCCCC1
InChIInChI=1S/C15H24N2O/c1-2-4-7-12(6-3-1)14-11-17-18-15(14)10-13-8-5-9-16-13/h11-13,16H,1-10H2
InChIKeyCYKYFCJKVKYNBS-UHFFFAOYSA-N
XLogP3.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine
CID 115093549
4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115033595
4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115053954
3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65389898
2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol
CID 115053966
4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 115054009
3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371735
2-[(4-cyclopentyl-1H-pyrazol-5-yl)methyl]piperidine
CID 115039853
5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 84696945
6-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308307
5-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308308
2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 115031695

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
The IUPAC name of 4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole (CID 115054022) is 4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
The canonical SMILES for 4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole is c1noc(CC2CCCN2)c1C1CCCCCC1.
What is the InChIKey of 4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
The InChIKey is CYKYFCJKVKYNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-4-7-12(6-3-1)14-11-17-18-15(14)10-13-8-5-9-16-13/h11-13,16H,1-10H2.
What are the key properties of 4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole has a molecular weight of 248.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 115054022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).