[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid

C20H16N4O3 — CID 67422146

IUPAC[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid
SMILESCc1onc(-c2ccccc2)c1-c1cn(-c2ccc(NC(=O)O)cc2)cn1
InChIInChI=1S/C20H16N4O3/c1-13-18(19(23-27-13)14-5-3-2-4-6-14)17-11-24(12-21-17)16-9-7-15(8-10-16)22-20(25)26/h2-12,22H,1H3,(H,25,26)
InChIKeyXELSSHWQOZEPNI-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.59
Rot. Bonds4

About [4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid

[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid (PubChem CID 67422146) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is [4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid
PubChem CID67422146
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid
SMILESCc1onc(-c2ccccc2)c1-c1cn(-c2ccc(NC(=O)O)cc2)cn1
InChIInChI=1S/C20H16N4O3/c1-13-18(19(23-27-13)14-5-3-2-4-6-14)17-11-24(12-21-17)16-9-7-15(8-10-16)22-20(25)26/h2-12,22H,1H3,(H,25,26)
InChIKeyXELSSHWQOZEPNI-UHFFFAOYSA-N
XLogP4.59
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
CID 23725748
4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
CID 23725269
4-[4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid
CID 67419925
5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole
CID 23725963
3-(3-bromophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole
CID 23725438
[4-(4-methylimidazol-1-yl)phenyl]carbamic acid
CID 149149751
3-phenyl-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
CID 25130781
3-(4-fluorophenyl)-5-methyl-4-(1-pyridin-3-ylimidazol-4-yl)-1,2-oxazole
CID 23725201
5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyrazole-1-carboxamide
CID 2745590
1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone
CID 23725857
3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole
CID 23725483
4-(4-phenylimidazol-1-yl)benzoic acid
CID 58156765

Frequently Asked Questions

What is the IUPAC name of [4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid?
The IUPAC name of [4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid (CID 67422146) is [4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid.
What is the SMILES notation for [4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid?
The canonical SMILES for [4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid is Cc1onc(-c2ccccc2)c1-c1cn(-c2ccc(NC(=O)O)cc2)cn1.
What is the InChIKey of [4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid?
The InChIKey is XELSSHWQOZEPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-13-18(19(23-27-13)14-5-3-2-4-6-14)17-11-24(12-21-17)16-9-7-15(8-10-16)22-20(25)26/h2-12,22H,1H3,(H,25,26).
What are the key properties of [4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid?
[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid has a molecular weight of 360.37 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid is sourced from PubChem (CID 67422146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).