[2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate

C17H20ClN3O4 — CID 67396874

IUPAC[2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate
SMILESCNC(=O)COC(=O)NCCCCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H20ClN3O4/c1-19-16(22)11-24-17(23)20-9-3-2-4-14-10-15(21-25-14)12-5-7-13(18)8-6-12/h5-8,10H,2-4,9,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyTZSFPIZZDIFMGK-UHFFFAOYSA-N
MW365.82 g/mol
LogP2.79
Rot. Bonds8

About [2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate

[2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate (PubChem CID 67396874) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate
PubChem CID67396874
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name[2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate
SMILESCNC(=O)COC(=O)NCCCCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H20ClN3O4/c1-19-16(22)11-24-17(23)20-9-3-2-4-14-10-15(21-25-14)12-5-7-13(18)8-6-12/h5-8,10H,2-4,9,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyTZSFPIZZDIFMGK-UHFFFAOYSA-N
XLogP2.79
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate
CID 67396206
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
CID 131857629
3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 113374656
2-[4-[3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]propoxy]phenoxy]-2-methylbutanoic acid
CID 11502868
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide
CID 134007751
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 46803049
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid
CID 75384716
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylcarbamoyl]-3-methylbutanoic acid
CID 167935125
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395
[2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 4795054
5-chloro-2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methoxy]benzamide
CID 46696629
3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 113374650

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate (CID 67396874) is [2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate is CNC(=O)COC(=O)NCCCCc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate?
The InChIKey is TZSFPIZZDIFMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c1-19-16(22)11-24-17(23)20-9-3-2-4-14-10-15(21-25-14)12-5-7-13(18)8-6-12/h5-8,10H,2-4,9,11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of [2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate?
[2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate has a molecular weight of 365.82 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate is sourced from PubChem (CID 67396874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).