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

C22H25N3O3 — CID 46111707

IUPAC1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea
SMILESCOc1cccc(-c2cc(CN(C(=O)Nc3cccc(C)c3)C(C)C)no2)c1
InChIInChI=1S/C22H25N3O3/c1-15(2)25(22(26)23-18-9-5-7-16(3)11-18)14-19-13-21(28-24-19)17-8-6-10-20(12-17)27-4/h5-13,15H,14H2,1-4H3,(H,23,26)
InChIKeyMCYCPUXSSLFNFI-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.10
Rot. Bonds6

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

1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea (PubChem CID 46111707) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea
PubChem CID46111707
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea
SMILESCOc1cccc(-c2cc(CN(C(=O)Nc3cccc(C)c3)C(C)C)no2)c1
InChIInChI=1S/C22H25N3O3/c1-15(2)25(22(26)23-18-9-5-7-16(3)11-18)14-19-13-21(28-24-19)17-8-6-10-20(12-17)27-4/h5-13,15H,14H2,1-4H3,(H,23,26)
InChIKeyMCYCPUXSSLFNFI-UHFFFAOYSA-N
XLogP5.10
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea with MolForge

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Related Compounds

3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea
CID 46111712
3-(3-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea
CID 8895627
2-(4-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylacetamide
CID 46111582
2-fluoro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46111583
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea
CID 42823019
1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea
CID 42822588
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide
CID 110314788
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 42823025
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 51070477
N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide
CID 51070384
N-(3-acetylphenyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879006

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea?
The IUPAC name of 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea (CID 46111707) is 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea?
The canonical SMILES for 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea is COc1cccc(-c2cc(CN(C(=O)Nc3cccc(C)c3)C(C)C)no2)c1.
What is the InChIKey of 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea?
The InChIKey is MCYCPUXSSLFNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(2)25(22(26)23-18-9-5-7-16(3)11-18)14-19-13-21(28-24-19)17-8-6-10-20(12-17)27-4/h5-13,15H,14H2,1-4H3,(H,23,26).
What are the key properties of 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea?
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea has a molecular weight of 379.46 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea is sourced from PubChem (CID 46111707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).