1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea

C15H20N4O3 — CID 91907311

IUPAC1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea
SMILESCOCc1nc(CCNC(=O)NCCc2ccccc2)no1
InChIInChI=1S/C15H20N4O3/c1-21-11-14-18-13(19-22-14)8-10-17-15(20)16-9-7-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,20)
InChIKeyZNJQCXBZUPPAPL-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.30
Rot. Bonds8

About 1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea

1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea (PubChem CID 91907311) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea
PubChem CID91907311
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea
SMILESCOCc1nc(CCNC(=O)NCCc2ccccc2)no1
InChIInChI=1S/C15H20N4O3/c1-21-11-14-18-13(19-22-14)8-10-17-15(20)16-9-7-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,20)
InChIKeyZNJQCXBZUPPAPL-UHFFFAOYSA-N
XLogP1.30
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide
CID 56903197
6-({[2-(3-Benzyl-1,2,4-oxadiazol-5-YL)ethyl]amino}methyl)-1,4-oxazepan-6-OL
CID 70718012
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylazetidine-1-carboxamide
CID 71783743
N~1~-(4-fluorobenzyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]tetrahydro-1(2H)-pyridinecarboxamide
CID 87053246
N~1~-(3-fluorobenzyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]tetrahydro-1(2H)-pyridinecarboxamide
CID 87053247
3-[5-(Ethoxymethyl)-1,2,4-oxadiazol-3-YL]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 91907882
N-[(4-Fluorophenyl)methyl]-4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidine-1-carboxamide
CID 91909878
N-[(4-Fluorophenyl)methyl]-2-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidine-1-carboxamide
CID 91909901
2-(3-Fluorophenyl)-1-{3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidino}-1-ethanone
CID 91918432
N-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-2-phenylpropanamide
CID 91907295
1-{3-[5-(Methoxymethyl)-1,2,4-oxadiazol-3-YL]piperidin-1-YL}-2-(2-methylphenyl)ethan-1-one
CID 91907843
N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide
CID 132345231

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea (CID 91907311) is 1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea is COCc1nc(CCNC(=O)NCCc2ccccc2)no1.
What is the InChIKey of 1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea?
The InChIKey is ZNJQCXBZUPPAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-21-11-14-18-13(19-22-14)8-10-17-15(20)16-9-7-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,20).
What are the key properties of 1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea?
1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea has a molecular weight of 304.35 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 91907311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).