3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea

C21H24N4O3 — CID 8895627

IUPAC3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea
SMILESCOc1cccc(NC(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c1
InChIInChI=1S/C21H24N4O3/c1-14(2)25(21(26)22-17-9-6-10-18(12-17)27-4)13-19-23-20(24-28-19)16-8-5-7-15(3)11-16/h5-12,14H,13H2,1-4H3,(H,22,26)
InChIKeyHTLINAYTCUZHRO-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.50
Rot. Bonds6

About 3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea

3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea (PubChem CID 8895627) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea
PubChem CID8895627
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea
SMILESCOc1cccc(NC(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c1
InChIInChI=1S/C21H24N4O3/c1-14(2)25(21(26)22-17-9-6-10-18(12-17)27-4)13-19-23-20(24-28-19)16-8-5-7-15(3)11-16/h5-12,14H,13H2,1-4H3,(H,22,26)
InChIKeyHTLINAYTCUZHRO-UHFFFAOYSA-N
XLogP4.50
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea
CID 8895624
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-1-propan-2-ylurea
CID 17275377
3-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea
CID 6473563
2,4-dimethoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 2991778
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea
CID 46111707
3-(4-fluorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea
CID 17275378
2,3-dimethoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 2980615
(2S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxy-N-propan-2-ylpropanamide
CID 40603676
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 8895902
2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132657248
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 8836674
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 100746776

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea?
The IUPAC name of 3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea (CID 8895627) is 3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea?
The canonical SMILES for 3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea is COc1cccc(NC(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea?
The InChIKey is HTLINAYTCUZHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(2)25(21(26)22-17-9-6-10-18(12-17)27-4)13-19-23-20(24-28-19)16-8-5-7-15(3)11-16/h5-12,14H,13H2,1-4H3,(H,22,26).
What are the key properties of 3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea?
3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea has a molecular weight of 380.45 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea is sourced from PubChem (CID 8895627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).