methyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate

C22H22N2O5 — CID 46387237

IUPACmethyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate
SMILESCCCOc1ccc(CNC(=O)c2ccccc2-c2ocnc2C(=O)OC)cc1
InChIInChI=1S/C22H22N2O5/c1-3-12-28-16-10-8-15(9-11-16)13-23-21(25)18-7-5-4-6-17(18)20-19(22(26)27-2)24-14-29-20/h4-11,14H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyPBOPEEZDMLEBJU-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.85
Rot. Bonds8

About methyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate

methyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 46387237) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is methyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate
PubChem CID46387237
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Namemethyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate
SMILESCCCOc1ccc(CNC(=O)c2ccccc2-c2ocnc2C(=O)OC)cc1
InChIInChI=1S/C22H22N2O5/c1-3-12-28-16-10-8-15(9-11-16)13-23-21(25)18-7-5-4-6-17(18)20-19(22(26)27-2)24-14-29-20/h4-11,14H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyPBOPEEZDMLEBJU-UHFFFAOYSA-N
XLogP3.85
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 53122944
2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide
CID 112836023
2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
CID 110793766
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 53080162
2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46101931
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689255
5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 50928971
N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122934
5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57396563
2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 169335250

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate (CID 46387237) is methyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate is CCCOc1ccc(CNC(=O)c2ccccc2-c2ocnc2C(=O)OC)cc1.
What is the InChIKey of methyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is PBOPEEZDMLEBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-3-12-28-16-10-8-15(9-11-16)13-23-21(25)18-7-5-4-6-17(18)20-19(22(26)27-2)24-14-29-20/h4-11,14H,3,12-13H2,1-2H3,(H,23,25).
What are the key properties of methyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate?
methyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 394.43 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46387237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).