[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate

C20H19N3O5 — CID 55539141

IUPAC[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate
SMILESCOc1ccc(-c2nc(COC(=O)c3ccc(CNC(N)=O)cc3)co2)cc1
InChIInChI=1S/C20H19N3O5/c1-26-17-8-6-14(7-9-17)18-23-16(11-27-18)12-28-19(24)15-4-2-13(3-5-15)10-22-20(21)25/h2-9,11H,10,12H2,1H3,(H3,21,22,25)
InChIKeyIYJQUQORFHIPDJ-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.88
Rot. Bonds7

About [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate

[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate (PubChem CID 55539141) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate
PubChem CID55539141
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate
SMILESCOc1ccc(-c2nc(COC(=O)c3ccc(CNC(N)=O)cc3)co2)cc1
InChIInChI=1S/C20H19N3O5/c1-26-17-8-6-14(7-9-17)18-23-16(11-27-18)12-28-19(24)15-4-2-13(3-5-15)10-22-20(21)25/h2-9,11H,10,12H2,1H3,(H3,21,22,25)
InChIKeyIYJQUQORFHIPDJ-UHFFFAOYSA-N
XLogP2.88
TPSA116.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate with MolForge

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Related Compounds

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate
CID 18102681
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 32685436
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
CID 55537653
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate
CID 32646400
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate
CID 31718301
(2-phenyl-1,3-oxazol-4-yl)methyl 2-bromo-5-methoxybenzoate
CID 18085087
ethyl 4-[[[N'-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]carbamimidoyl]amino]methyl]benzoate
CID 111552202
(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate
CID 18099446
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate
CID 55538994
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate
CID 32644596
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 166392327
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 55545711

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate (CID 55539141) is [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate is COc1ccc(-c2nc(COC(=O)c3ccc(CNC(N)=O)cc3)co2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate?
The InChIKey is IYJQUQORFHIPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-26-17-8-6-14(7-9-17)18-23-16(11-27-18)12-28-19(24)15-4-2-13(3-5-15)10-22-20(21)25/h2-9,11H,10,12H2,1H3,(H3,21,22,25).
What are the key properties of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate?
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate has a molecular weight of 381.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate is sourced from PubChem (CID 55539141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).