N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine

C15H20N4O2 — CID 63301628

IUPACN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine
SMILESCOc1ccc(-c2noc(CN(C)C3CCNC3)n2)cc1
InChIInChI=1S/C15H20N4O2/c1-19(12-7-8-16-9-12)10-14-17-15(18-21-14)11-3-5-13(20-2)6-4-11/h3-6,12,16H,7-10H2,1-2H3
InChIKeyRFKOLFDPGQORFH-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.54
Rot. Bonds5

About N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine (PubChem CID 63301628) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine
PubChem CID63301628
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine
SMILESCOc1ccc(-c2noc(CN(C)C3CCNC3)n2)cc1
InChIInChI=1S/C15H20N4O2/c1-19(12-7-8-16-9-12)10-14-17-15(18-21-14)11-3-5-13(20-2)6-4-11/h3-6,12,16H,7-10H2,1-2H3
InChIKeyRFKOLFDPGQORFH-UHFFFAOYSA-N
XLogP1.54
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607543
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine
CID 119933143
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913209
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443994
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66188094
N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43607304
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide
CID 119824065
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119923037
N,N-dimethyl-1-[4-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120842104
N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 154895780

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine (CID 63301628) is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine is COc1ccc(-c2noc(CN(C)C3CCNC3)n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is RFKOLFDPGQORFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19(12-7-8-16-9-12)10-14-17-15(18-21-14)11-3-5-13(20-2)6-4-11/h3-6,12,16H,7-10H2,1-2H3.
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine?
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 288.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 63301628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).