3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid

C18H21ClN2O4 — CID 119207152

IUPAC3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H21ClN2O4/c1-12(2)21(10-9-18(23)24)17(22)8-7-16-20-11-15(25-16)13-5-3-4-6-14(13)19/h3-6,11-12H,7-10H2,1-2H3,(H,23,24)
InChIKeyRAKYMXNOSMAQPH-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.64
Rot. Bonds8

About 3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid

3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid (PubChem CID 119207152) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid
PubChem CID119207152
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H21ClN2O4/c1-12(2)21(10-9-18(23)24)17(22)8-7-16-20-11-15(25-16)13-5-3-4-6-14(13)19/h3-6,11-12H,7-10H2,1-2H3,(H,23,24)
InChIKeyRAKYMXNOSMAQPH-UHFFFAOYSA-N
XLogP3.64
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886031
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 34689755
N-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 55580379
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 26081829
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 55500513
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-cyclopropylethyl]propanamide
CID 32893547
N-[(3-chlorophenyl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18135934
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 24651784
N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29480822
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 30890026
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 18161298
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 134020373

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid (CID 119207152) is 3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)CCc1ncc(-c2ccccc2Cl)o1.
What is the InChIKey of 3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid?
The InChIKey is RAKYMXNOSMAQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-12(2)21(10-9-18(23)24)17(22)8-7-16-20-11-15(25-16)13-5-3-4-6-14(13)19/h3-6,11-12H,7-10H2,1-2H3,(H,23,24).
What are the key properties of 3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid?
3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid has a molecular weight of 364.83 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 119207152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).