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

C16H22N4O3 — CID 110653454

IUPAC2-morpholin-4-yl-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESc1ccc(OCc2nnc(CNCCN3CCOCC3)o2)cc1
InChIInChI=1S/C16H22N4O3/c1-2-4-14(5-3-1)22-13-16-19-18-15(23-16)12-17-6-7-20-8-10-21-11-9-20/h1-5,17H,6-13H2
InChIKeyBKTMCBZRBGWCRP-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.07
Rot. Bonds8

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

2-morpholin-4-yl-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 110653454) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID110653454
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-morpholin-4-yl-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESc1ccc(OCc2nnc(CNCCN3CCOCC3)o2)cc1
InChIInChI=1S/C16H22N4O3/c1-2-4-14(5-3-1)22-13-16-19-18-15(23-16)12-17-6-7-20-8-10-21-11-9-20/h1-5,17H,6-13H2
InChIKeyBKTMCBZRBGWCRP-UHFFFAOYSA-N
XLogP1.07
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 94283229
5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 2021433
2-morpholin-4-yl-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43764194
N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17159778
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17159776
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 82705234
2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride
CID 17294777
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222862
5-(3-morpholin-4-ylpropylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 664721
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 43552214

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 110653454) is 2-morpholin-4-yl-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is c1ccc(OCc2nnc(CNCCN3CCOCC3)o2)cc1.
What is the InChIKey of 2-morpholin-4-yl-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is BKTMCBZRBGWCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-2-4-14(5-3-1)22-13-16-19-18-15(23-16)12-17-6-7-20-8-10-21-11-9-20/h1-5,17H,6-13H2.
What are the key properties of 2-morpholin-4-yl-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
2-morpholin-4-yl-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 318.38 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 110653454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).