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

C14H17N3O3 — CID 66235822

IUPACN-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCNC1COCC1c1nc(COc2ccccc2)no1
InChIInChI=1S/C14H17N3O3/c1-15-12-8-18-7-11(12)14-16-13(17-20-14)9-19-10-5-3-2-4-6-10/h2-6,11-12,15H,7-9H2,1H3
InChIKeyTUOYDUHVMARNAX-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.35
Rot. Bonds5

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

N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66235822) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66235822
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCNC1COCC1c1nc(COc2ccccc2)no1
InChIInChI=1S/C14H17N3O3/c1-15-12-8-18-7-11(12)14-16-13(17-20-14)9-19-10-5-3-2-4-6-10/h2-6,11-12,15H,7-9H2,1H3
InChIKeyTUOYDUHVMARNAX-UHFFFAOYSA-N
XLogP1.35
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83192086
N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66238055
4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83200622
N-methyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66237436
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515
N-methyl-4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66264900
4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
CID 66236033
5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 129381348
4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
CID 66238041
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474530
N-ethyl-4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66246672
cis-(1S,3R)-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323295

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66235822) is N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CNC1COCC1c1nc(COc2ccccc2)no1.
What is the InChIKey of N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is TUOYDUHVMARNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-15-12-8-18-7-11(12)14-16-13(17-20-14)9-19-10-5-3-2-4-6-10/h2-6,11-12,15H,7-9H2,1H3.
What are the key properties of N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 275.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66235822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).