N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine

C14H22N2O2 — CID 95901998

IUPACN-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine
SMILESc1cc(CN(C[C@@H]2CCCO2)C2CCCC2)on1
InChIInChI=1S/C14H22N2O2/c1-2-5-12(4-1)16(10-13-6-3-9-17-13)11-14-7-8-15-18-14/h7-8,12-13H,1-6,9-11H2/t13-/m0/s1
InChIKeyFBYQYALWTWCLSN-ZDUSSCGKSA-N
MW250.34 g/mol
LogP2.60
Rot. Bonds5

About N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine

N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine (PubChem CID 95901998) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine
PubChem CID95901998
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine
SMILESc1cc(CN(C[C@@H]2CCCO2)C2CCCC2)on1
InChIInChI=1S/C14H22N2O2/c1-2-5-12(4-1)16(10-13-6-3-9-17-13)11-14-7-8-15-18-14/h7-8,12-13H,1-6,9-11H2/t13-/m0/s1
InChIKeyFBYQYALWTWCLSN-ZDUSSCGKSA-N
XLogP2.60
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,2-oxazol-5-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 95903622
N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 126783794
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 63388993
N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine
CID 127377767
N-methyl-N-(1,2-oxazol-5-ylmethyl)cyclopropanamine
CID 131114166
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine
CID 63389279
3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 111488864
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine
CID 63386966
(1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol
CID 129424046
N'-cyclopentyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591816
N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635999
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine (CID 95901998) is N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine is c1cc(CN(C[C@@H]2CCCO2)C2CCCC2)on1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine?
The InChIKey is FBYQYALWTWCLSN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-5-12(4-1)16(10-13-6-3-9-17-13)11-14-7-8-15-18-14/h7-8,12-13H,1-6,9-11H2/t13-/m0/s1.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine?
N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine has a molecular weight of 250.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 95901998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).