methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate

C16H16Cl2N2O4 — CID 1197455

IUPACmethyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OC)co1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O4/c1-3-6-20(8-14-19-13(9-24-14)16(22)23-2)15(21)11-5-4-10(17)7-12(11)18/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyPEXXDQQXQAZVQE-UHFFFAOYSA-N
MW371.22 g/mol
LogP3.82
Rot. Bonds6

About methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 1197455) has the molecular formula C16H16Cl2N2O4 and a molecular weight of 371.22 g/mol. Its IUPAC name is methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID1197455
Molecular FormulaC16H16Cl2N2O4
Molecular Weight371.22 g/mol
Exact Mass370.05
IUPAC Namemethyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OC)co1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O4/c1-3-6-20(8-14-19-13(9-24-14)16(22)23-2)15(21)11-5-4-10(17)7-12(11)18/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyPEXXDQQXQAZVQE-UHFFFAOYSA-N
XLogP3.82
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[(2,4-dimethoxybenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197468
methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3434185
methyl 2-[[propyl-[3-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197462
methyl 2-[[(4-hexylbenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4006125
methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 811008
methyl 2-[[3,3-dimethylbutanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5138437
methyl 2-[[(2,4-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766659
methyl 2-[[(2-chloro-4-nitrobenzoyl)-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4319931
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
methyl 2-[[(2-methoxybenzoyl)-(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197504
methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3458352
methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4237865

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate (CID 1197455) is methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate is CCCN(Cc1nc(C(=O)OC)co1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is PEXXDQQXQAZVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4/c1-3-6-20(8-14-19-13(9-24-14)16(22)23-2)15(21)11-5-4-10(17)7-12(11)18/h4-5,7,9H,3,6,8H2,1-2H3.
What are the key properties of methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 371.22 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 1197455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).