N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine

C16H21N3O2 — CID 62907458

IUPACN-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1nnc(C2CCOCC2)o1
InChIInChI=1S/C16H21N3O2/c1-2-17-14(12-6-4-3-5-7-12)16-19-18-15(21-16)13-8-10-20-11-9-13/h3-7,13-14,17H,2,8-11H2,1H3
InChIKeyJOMHWULAYZXQTM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.66
Rot. Bonds5

About N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine

N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine (PubChem CID 62907458) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
PubChem CID62907458
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1nnc(C2CCOCC2)o1
InChIInChI=1S/C16H21N3O2/c1-2-17-14(12-6-4-3-5-7-12)16-19-18-15(21-16)13-8-10-20-11-9-13/h3-7,13-14,17H,2,8-11H2,1H3
InChIKeyJOMHWULAYZXQTM-UHFFFAOYSA-N
XLogP2.66
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 62213931
N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 107183233
N-[1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62904834
1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62905353
2-[(1S)-1-(2-methylphenoxy)propyl]-5-(oxan-4-yl)-1,3,4-oxadiazole
CID 164634348
1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine
CID 62859118
N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 63079825
N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 114822846
N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 106855933
N-[[5-(4-methylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 79808204
N-methyl-1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]-1-phenylmethanamine
CID 81327117
N-benzhydrylethanamine;ethane
CID 142974710

Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
The IUPAC name of N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine (CID 62907458) is N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine.
What is the SMILES notation for N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
The canonical SMILES for N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1nnc(C2CCOCC2)o1.
What is the InChIKey of N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
The InChIKey is JOMHWULAYZXQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-17-14(12-6-4-3-5-7-12)16-19-18-15(21-16)13-8-10-20-11-9-13/h3-7,13-14,17H,2,8-11H2,1H3.
What are the key properties of N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine is sourced from PubChem (CID 62907458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).