1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea

C21H23N3O2 — CID 2814460

IUPAC1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea
SMILESCc1onc(-c2ccccc2)c1NC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C21H23N3O2/c1-15(2)24(14-17-10-6-4-7-11-17)21(25)22-19-16(3)26-23-20(19)18-12-8-5-9-13-18/h4-13,15H,14H2,1-3H3,(H,22,25)
InChIKeyYHLZTCWSFZAHNB-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.09
Rot. Bonds5

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

1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea (PubChem CID 2814460) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea
PubChem CID2814460
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea
SMILESCc1onc(-c2ccccc2)c1NC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C21H23N3O2/c1-15(2)24(14-17-10-6-4-7-11-17)21(25)22-19-16(3)26-23-20(19)18-12-8-5-9-13-18/h4-13,15H,14H2,1-3H3,(H,22,25)
InChIKeyYHLZTCWSFZAHNB-UHFFFAOYSA-N
XLogP5.09
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
CID 2764630
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea
CID 108990757
1-benzyl-3-(1,5-dimethylpyrazol-3-yl)-1-propan-2-ylurea
CID 108813256
1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea
CID 47363759
[(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate
CID 59074061
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 4525526
4-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 80537936
1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
CID 2812477

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea (CID 2814460) is 1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea is Cc1onc(-c2ccccc2)c1NC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of 1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea?
The InChIKey is YHLZTCWSFZAHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(2)24(14-17-10-6-4-7-11-17)21(25)22-19-16(3)26-23-20(19)18-12-8-5-9-13-18/h4-13,15H,14H2,1-3H3,(H,22,25).
What are the key properties of 1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea?
1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea has a molecular weight of 349.43 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea is sourced from PubChem (CID 2814460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).