methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate

C14H15ClN2O3 — CID 60670524

IUPACmethyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C14H15ClN2O3/c1-17(9-14(18)19-2)8-13-16-7-12(20-13)10-4-3-5-11(15)6-10/h3-7H,8-9H2,1-2H3
InChIKeyJJCFQLAMZGGWBQ-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.60
Rot. Bonds5

About methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate

methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate (PubChem CID 60670524) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate
PubChem CID60670524
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Namemethyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C14H15ClN2O3/c1-17(9-14(18)19-2)8-13-16-7-12(20-13)10-4-3-5-11(15)6-10/h3-7H,8-9H2,1-2H3
InChIKeyJJCFQLAMZGGWBQ-UHFFFAOYSA-N
XLogP2.60
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate with MolForge

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Related Compounds

2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid
CID 43442560
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
CID 60696759
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-N,N-dimethylbenzamide
CID 86930999
methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate
CID 62012661
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 78815733
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid
CID 43631460
2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183004
N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride
CID 119922875
N-[2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182024
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]butanoic acid
CID 105353084
3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119911544
5-(3-chlorophenyl)-2-(pentan-3-ylsulfonylmethyl)-1,3-oxazole
CID 56823231

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate?
The IUPAC name of methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate (CID 60670524) is methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate is COC(=O)CN(C)Cc1ncc(-c2cccc(Cl)c2)o1.
What is the InChIKey of methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate?
The InChIKey is JJCFQLAMZGGWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-17(9-14(18)19-2)8-13-16-7-12(20-13)10-4-3-5-11(15)6-10/h3-7H,8-9H2,1-2H3.
What are the key properties of methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate?
methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate has a molecular weight of 294.74 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate is sourced from PubChem (CID 60670524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).