1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea

C23H27N3O2 — CID 51070614

IUPAC1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea
SMILESCc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)NC(C)C)no2)c(C)c1
InChIInChI=1S/C23H27N3O2/c1-16(2)24-23(27)26(14-19-8-6-5-7-9-19)15-20-13-22(28-25-20)21-11-10-17(3)12-18(21)4/h5-13,16H,14-15H2,1-4H3,(H,24,27)
InChIKeyVWOVNNVQEVIUSB-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.08
Rot. Bonds6

About 1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea

1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea (PubChem CID 51070614) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea
PubChem CID51070614
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea
SMILESCc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)NC(C)C)no2)c(C)c1
InChIInChI=1S/C23H27N3O2/c1-16(2)24-23(27)26(14-19-8-6-5-7-9-19)15-20-13-22(28-25-20)21-11-10-17(3)12-18(21)4/h5-13,16H,14-15H2,1-4H3,(H,24,27)
InChIKeyVWOVNNVQEVIUSB-UHFFFAOYSA-N
XLogP5.08
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea with MolForge

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Related Compounds

1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propan-2-ylurea
CID 51070626
N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 51070364
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 83281968
N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide
CID 51070501
N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-N-propylpropanamide
CID 51070279
N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
CID 42822314
N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide
CID 51070384
4-methyl-N-(2-methylpropyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070311
N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070066
1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812654
1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea
CID 60522595

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea (CID 51070614) is 1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea is Cc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)NC(C)C)no2)c(C)c1.
What is the InChIKey of 1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea?
The InChIKey is VWOVNNVQEVIUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(2)24-23(27)26(14-19-8-6-5-7-9-19)15-20-13-22(28-25-20)21-11-10-17(3)12-18(21)4/h5-13,16H,14-15H2,1-4H3,(H,24,27).
What are the key properties of 1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea?
1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea has a molecular weight of 377.49 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 51070614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).