ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate

C32H31N3O4 — CID 69424005

IUPACethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate
SMILESCCOC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)nc2)cc1-c1ccccc1
InChIInChI=1S/C32H31N3O4/c1-3-37-31(36)17-15-27-20-35(21-28(27)25-10-6-4-7-11-25)19-24-14-16-30(33-18-24)38-22-29-23(2)39-32(34-29)26-12-8-5-9-13-26/h4-14,16,18,20-21H,3,15,17,19,22H2,1-2H3
InChIKeyDWKVQUYVYUCJAZ-UHFFFAOYSA-N
MW521.62 g/mol
LogP6.64
Rot. Bonds11

About ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate

ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate (PubChem CID 69424005) has the molecular formula C32H31N3O4 and a molecular weight of 521.62 g/mol. Its IUPAC name is ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate
PubChem CID69424005
Molecular FormulaC32H31N3O4
Molecular Weight521.62 g/mol
Exact Mass521.23
IUPAC Nameethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate
SMILESCCOC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)nc2)cc1-c1ccccc1
InChIInChI=1S/C32H31N3O4/c1-3-37-31(36)17-15-27-20-35(21-28(27)25-10-6-4-7-11-25)19-24-14-16-30(33-18-24)38-22-29-23(2)39-32(34-29)26-12-8-5-9-13-26/h4-14,16,18,20-21H,3,15,17,19,22H2,1-2H3
InChIKeyDWKVQUYVYUCJAZ-UHFFFAOYSA-N
XLogP6.64
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-[3-ethoxy-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoate
CID 23021915
ethyl 3-[3-ethoxy-1-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoate
CID 23021936
ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate
CID 141039508
[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-3-phenylpyrazol-4-yl] acetate
CID 152552895
2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid
CID 10113580
[2-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-3-pyridinyl]methanol
CID 68884273
ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate
CID 68883694
methyl 2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methylamino]acetate
CID 22087918
methyl 3-(ethoxyamino)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]but-2-enoate
CID 90967922
ethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate
CID 69423998
ethyl 3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylate
CID 23024781
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55505433

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate?
The IUPAC name of ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate (CID 69424005) is ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate?
The canonical SMILES for ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate is CCOC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)nc2)cc1-c1ccccc1.
What is the InChIKey of ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate?
The InChIKey is DWKVQUYVYUCJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O4/c1-3-37-31(36)17-15-27-20-35(21-28(27)25-10-6-4-7-11-25)19-24-14-16-30(33-18-24)38-22-29-23(2)39-32(34-29)26-12-8-5-9-13-26/h4-14,16,18,20-21H,3,15,17,19,22H2,1-2H3.
What are the key properties of ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate?
ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate has a molecular weight of 521.62 g/mol, XLogP of 6.64, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methyl]-4-phenylpyrrol-3-yl]propanoate is sourced from PubChem (CID 69424005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).