1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone

C18H17N3O3 — CID 110653580

IUPAC1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
SMILESCC(=O)c1cccc(NCc2nnc(COc3ccccc3)o2)c1
InChIInChI=1S/C18H17N3O3/c1-13(22)14-6-5-7-15(10-14)19-11-17-20-21-18(24-17)12-23-16-8-3-2-4-9-16/h2-10,19H,11-12H2,1H3
InChIKeyRZMGPFOFAOGCFM-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.46
Rot. Bonds7

About 1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone

1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone (PubChem CID 110653580) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
PubChem CID110653580
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
SMILESCC(=O)c1cccc(NCc2nnc(COc3ccccc3)o2)c1
InChIInChI=1S/C18H17N3O3/c1-13(22)14-6-5-7-15(10-14)19-11-17-20-21-18(24-17)12-23-16-8-3-2-4-9-16/h2-10,19H,11-12H2,1H3
InChIKeyRZMGPFOFAOGCFM-UHFFFAOYSA-N
XLogP3.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 28782376
1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 110652203
1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 99624007
4-N,4-N-dimethyl-1-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-diamine
CID 110653589
1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone
CID 15990135
3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50844299
2,4-dichloro-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110653618
methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate
CID 71918805
1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone
CID 83705193
3-[(3-phenylmethoxyphenyl)methylamino]benzoic acid
CID 4987566
1-[3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]ethanone
CID 51225071
2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110656017

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
The IUPAC name of 1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone (CID 110653580) is 1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone is CC(=O)c1cccc(NCc2nnc(COc3ccccc3)o2)c1.
What is the InChIKey of 1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
The InChIKey is RZMGPFOFAOGCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-13(22)14-6-5-7-15(10-14)19-11-17-20-21-18(24-17)12-23-16-8-3-2-4-9-16/h2-10,19H,11-12H2,1H3.
What are the key properties of 1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone has a molecular weight of 323.35 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone is sourced from PubChem (CID 110653580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).