1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea

C23H23N5O2 — CID 167917772

IUPAC1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea
SMILESCc1ccc(-c2cnc(CNC(=O)NC(C)c3ccc(-n4ccnc4)cc3)o2)cc1
InChIInChI=1S/C23H23N5O2/c1-16-3-5-19(6-4-16)21-13-25-22(30-21)14-26-23(29)27-17(2)18-7-9-20(10-8-18)28-12-11-24-15-28/h3-13,15,17H,14H2,1-2H3,(H2,26,27,29)
InChIKeyHSGDYCXJDTUZEC-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.40
Rot. Bonds6

About 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea

1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea (PubChem CID 167917772) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea
PubChem CID167917772
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea
SMILESCc1ccc(-c2cnc(CNC(=O)NC(C)c3ccc(-n4ccnc4)cc3)o2)cc1
InChIInChI=1S/C23H23N5O2/c1-16-3-5-19(6-4-16)21-13-25-22(30-21)14-26-23(29)27-17(2)18-7-9-20(10-8-18)28-12-11-24-15-28/h3-13,15,17H,14H2,1-2H3,(H2,26,27,29)
InChIKeyHSGDYCXJDTUZEC-UHFFFAOYSA-N
XLogP4.40
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea with MolForge

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Related Compounds

1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
CID 25339932
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea
CID 33385512
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 111503946
2-methyl-1-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-3-(1-phenylethyl)guanidine
CID 111545973
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18129096
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 31207168
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 42905501
2-(2-bromo-4-methylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25366213
2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25366205
5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 40713205

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea?
The IUPAC name of 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea (CID 167917772) is 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea.
What is the SMILES notation for 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea?
The canonical SMILES for 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea is Cc1ccc(-c2cnc(CNC(=O)NC(C)c3ccc(-n4ccnc4)cc3)o2)cc1.
What is the InChIKey of 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea?
The InChIKey is HSGDYCXJDTUZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-3-5-19(6-4-16)21-13-25-22(30-21)14-26-23(29)27-17(2)18-7-9-20(10-8-18)28-12-11-24-15-28/h3-13,15,17H,14H2,1-2H3,(H2,26,27,29).
What are the key properties of 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea?
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea has a molecular weight of 401.47 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea is sourced from PubChem (CID 167917772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).