methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate

C19H19NO3 — CID 571094

IUPACmethyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
SMILESCCC1(C(=O)OC)N=C(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-3-19(18(21)22-2)16(14-10-6-4-7-11-14)23-17(20-19)15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3
InChIKeyMOVWPDYFMFDRSU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.53
Rot. Bonds4

About methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate

methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate (PubChem CID 571094) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
PubChem CID571094
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
SMILESCCC1(C(=O)OC)N=C(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-3-19(18(21)22-2)16(14-10-6-4-7-11-14)23-17(20-19)15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3
InChIKeyMOVWPDYFMFDRSU-UHFFFAOYSA-N
XLogP3.53
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
CID 10761738
methyl (4S,5S)-4-benzyl-2-(4-ethylphenyl)-5-phenyl-5H-1,3-oxazole-4-carboxylate
CID 130360929
methyl (4S,5S)-2,5-diphenyl-4-[(4-propan-2-ylphenyl)methyl]-5H-1,3-oxazole-4-carboxylate
CID 130327798
methyl (4S,5S)-4-(hydroxymethyl)-2-phenyl-5-propan-2-yl-5H-1,3-oxazole-4-carboxylate
CID 11832702
methyl (4S,5R)-4-benzyl-5-(furan-2-yl)-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 130327741
[2-[[(4R,5R)-2-(4-butoxyphenyl)-4-methoxycarbonyl-5-phenyl-5H-1,3-oxazol-4-yl]methyl]phenyl]methylimino-iminoazanium
CID 160578981
methyl (4R,5R)-4-[(4-bromophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5-(4-phenylphenyl)-5H-1,3-oxazole-4-carboxylate
CID 23920263
(4R,5R)-4-methyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylic acid
CID 101027734
methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate
CID 58807302
methyl 5-methyl-4-(2-nitroethyl)-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 616232
methyl (4R,5S)-4-[(2R,3S)-2-hydroxy-3-methoxycarbonylnonyl]-2-phenyl-5-propan-2-yl-5H-1,3-oxazole-4-carboxylate
CID 69135024
(4R,5R)-2-[4-(3-hydroxypropoxy)phenyl]-N-methyl-5-(4-phenylphenyl)-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
CID 23749307

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate (CID 571094) is methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate is CCC1(C(=O)OC)N=C(c2ccccc2)OC1c1ccccc1.
What is the InChIKey of methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate?
The InChIKey is MOVWPDYFMFDRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-19(18(21)22-2)16(14-10-6-4-7-11-14)23-17(20-19)15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3.
What are the key properties of methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate?
methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 571094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).