[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate

C29H25NO4 — CID 57207829

IUPAC[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate
SMILESCCC(=O)OC(c1ccccc1)c1ccc2cc(Cc3nc(-c4ccccc4)oc3C)oc2c1
InChIInChI=1S/C29H25NO4/c1-3-27(31)34-28(20-10-6-4-7-11-20)23-15-14-22-16-24(33-26(22)17-23)18-25-19(2)32-29(30-25)21-12-8-5-9-13-21/h4-17,28H,3,18H2,1-2H3
InChIKeyJZMVUJVOUDFCFE-UHFFFAOYSA-N
MW451.52 g/mol
LogP7.03
Rot. Bonds7

About [[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate

[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate (PubChem CID 57207829) has the molecular formula C29H25NO4 and a molecular weight of 451.52 g/mol. Its IUPAC name is [[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate.

Molecular Properties

Compound Name[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate
PubChem CID57207829
Molecular FormulaC29H25NO4
Molecular Weight451.52 g/mol
Exact Mass451.18
IUPAC Name[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate
SMILESCCC(=O)OC(c1ccccc1)c1ccc2cc(Cc3nc(-c4ccccc4)oc3C)oc2c1
InChIInChI=1S/C29H25NO4/c1-3-27(31)34-28(20-10-6-4-7-11-20)23-15-14-22-16-24(33-26(22)17-23)18-25-19(2)32-29(30-25)21-12-8-5-9-13-21/h4-17,28H,3,18H2,1-2H3
InChIKeyJZMVUJVOUDFCFE-UHFFFAOYSA-N
XLogP7.03
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-bromo-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoate
CID 10671958
ethyl 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-methylsulfanylpropanoate
CID 10550862
ethyl (Z)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-enoate
CID 67619983
2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid
CID 10836630
4-[[5-[2,2-bis(prop-2-enoxy)ethyl]-1-benzofuran-2-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 10836339
[(E)-4-(carbamoylamino)-2-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-enyl] methyl carbonate
CID 67635245
(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 31702472
(2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 16621729
methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate
CID 46837096
ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate
CID 19694380
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-carbaldehyde
CID 10758885
(2R)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylacetamide
CID 94614527

Frequently Asked Questions

What is the IUPAC name of [[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate?
The IUPAC name of [[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate (CID 57207829) is [[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate.
What is the SMILES notation for [[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate?
The canonical SMILES for [[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate is CCC(=O)OC(c1ccccc1)c1ccc2cc(Cc3nc(-c4ccccc4)oc3C)oc2c1.
What is the InChIKey of [[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate?
The InChIKey is JZMVUJVOUDFCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO4/c1-3-27(31)34-28(20-10-6-4-7-11-20)23-15-14-22-16-24(33-26(22)17-23)18-25-19(2)32-29(30-25)21-12-8-5-9-13-21/h4-17,28H,3,18H2,1-2H3.
What are the key properties of [[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate?
[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate has a molecular weight of 451.52 g/mol, XLogP of 7.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate is sourced from PubChem (CID 57207829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).