1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C18H23N7O2 — CID 121496130

IUPAC1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)NCCc1nncn1C
InChIInChI=1S/C18H23N7O2/c1-4-25(18(26)19-9-8-15-22-20-12-24(15)3)11-16-21-17(23-27-16)14-7-5-6-13(2)10-14/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,19,26)
InChIKeyUHPIDJCTTFGPCO-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.95
Rot. Bonds7

About 1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 121496130) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID121496130
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)NCCc1nncn1C
InChIInChI=1S/C18H23N7O2/c1-4-25(18(26)19-9-8-15-22-20-12-24(15)3)11-16-21-17(23-27-16)14-7-5-6-13(2)10-14/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,19,26)
InChIKeyUHPIDJCTTFGPCO-UHFFFAOYSA-N
XLogP1.95
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835940
1-methyl-3-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 125435106
3-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea
CID 6473563
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide
CID 7694093
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-methylbenzamide
CID 6494655
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-ynoxybenzamide
CID 40772017
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylprop-2-enamide
CID 71951743
4-methyl-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323732
3-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanoic acid;hydrochloride
CID 119911331
N-ethyl-3,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8875273
2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8875301
3-(3-methylphenyl)-5-[(3-methyl-1,2,4-triazol-4-yl)methyl]-1,2,4-oxadiazole
CID 110167726

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 121496130) is 1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)NCCc1nncn1C.
What is the InChIKey of 1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is UHPIDJCTTFGPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-4-25(18(26)19-9-8-15-22-20-12-24(15)3)11-16-21-17(23-27-16)14-7-5-6-13(2)10-14/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,19,26).
What are the key properties of 1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 369.43 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 121496130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).