methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate

C17H21N3O4 — CID 811008

IUPACmethyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OC)co1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H21N3O4/c1-3-9-20(11-15-19-14(12-24-15)16(21)23-2)17(22)18-10-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,18,22)
InChIKeyLWCGQFQCNBDNPH-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.58
Rot. Bonds7

About methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 811008) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID811008
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Namemethyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OC)co1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H21N3O4/c1-3-9-20(11-15-19-14(12-24-15)16(21)23-2)17(22)18-10-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,18,22)
InChIKeyLWCGQFQCNBDNPH-UHFFFAOYSA-N
XLogP2.58
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4237865
methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 811069
methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3434185
methyl 2-[[(4-hexylbenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4006125
methyl 2-[[3,3-dimethylbutanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5138437
methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197462
methyl 2-[[(3-cyanophenyl)carbamoyl-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 811012
methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197455
ethane;methyl 2-benzyl-1,3-oxazole-4-carboxylate
CID 91273560
methyl 2-[[(2,4-dimethoxybenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197468
methyl 2-[[furan-2-carbonyl(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5039854
methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4004369

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate (CID 811008) is methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate is CCCN(Cc1nc(C(=O)OC)co1)C(=O)NCc1ccccc1.
What is the InChIKey of methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is LWCGQFQCNBDNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-3-9-20(11-15-19-14(12-24-15)16(21)23-2)17(22)18-10-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,18,22).
What are the key properties of methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 811008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).