ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate

C16H15N3O3 — CID 174503447

IUPACethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate
SMILESCCOC(=O)n1ccnc1-c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C16H15N3O3/c1-3-21-16(20)19-10-9-17-14(19)13-11(2)22-15(18-13)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyPPGJJBVBGRIBGF-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.52
Rot. Bonds3

About ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate

ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate (PubChem CID 174503447) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate
PubChem CID174503447
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Nameethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate
SMILESCCOC(=O)n1ccnc1-c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C16H15N3O3/c1-3-21-16(20)19-10-9-17-14(19)13-11(2)22-15(18-13)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyPPGJJBVBGRIBGF-UHFFFAOYSA-N
XLogP3.52
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole
CID 71981264
ethyl N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]carbamate
CID 110666364
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate
CID 16611239
ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
CID 14743338
2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658
[2-(cyclopentylamino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727406
5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
CID 42611623
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2669364
2-[5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-4-phenylimidazol-1-yl]ethanol
CID 50953740
benzyl 2-ethylimidazole-1-carboxylate
CID 23385831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate?
The IUPAC name of ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate (CID 174503447) is ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate.
What is the SMILES notation for ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate?
The canonical SMILES for ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate is CCOC(=O)n1ccnc1-c1nc(-c2ccccc2)oc1C.
What is the InChIKey of ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate?
The InChIKey is PPGJJBVBGRIBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-3-21-16(20)19-10-9-17-14(19)13-11(2)22-15(18-13)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate?
ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)imidazole-1-carboxylate is sourced from PubChem (CID 174503447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).