methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate

C14H13ClN2O3 — CID 53008889

IUPACmethyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2cccc(Cl)c2)noc1NC1CC1
InChIInChI=1S/C14H13ClN2O3/c1-19-14(18)11-12(8-3-2-4-9(15)7-8)17-20-13(11)16-10-5-6-10/h2-4,7,10,16H,5-6H2,1H3
InChIKeyFCQWFPPJCKVPIM-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.36
Rot. Bonds4

About methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate

methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate (PubChem CID 53008889) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate
PubChem CID53008889
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Namemethyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2cccc(Cl)c2)noc1NC1CC1
InChIInChI=1S/C14H13ClN2O3/c1-19-14(18)11-12(8-3-2-4-9(15)7-8)17-20-13(11)16-10-5-6-10/h2-4,7,10,16H,5-6H2,1H3
InChIKeyFCQWFPPJCKVPIM-UHFFFAOYSA-N
XLogP3.36
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 94117851
methyl 5-[(1,1-dioxothiolan-3-yl)amino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 53008900
methyl 5-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 93069816
methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate
CID 53022279
methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 108783849
methyl 5-(cyclohexylcarbamothioylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 108783852
methyl 3-(2,6-dichlorophenyl)-5-[(3-methoxycarbonylbenzoyl)amino]-1,2-oxazole-4-carboxylate
CID 108746352
methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 82135015
5-O-methyl 3-O-(oxolan-2-ylmethyl) 4-(3-chlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 22898679
methyl 2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylate
CID 19648439
methyl 5-[3,5-bis(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71829962
ethyl 3-(4-chlorophenyl)-5-(cyclopropanecarbonylamino)-1,2-oxazole-4-carboxylate
CID 108742821

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate (CID 53008889) is methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2cccc(Cl)c2)noc1NC1CC1.
What is the InChIKey of methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate?
The InChIKey is FCQWFPPJCKVPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-19-14(18)11-12(8-3-2-4-9(15)7-8)17-20-13(11)16-10-5-6-10/h2-4,7,10,16H,5-6H2,1H3.
What are the key properties of methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate?
methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate has a molecular weight of 292.72 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 53008889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).