methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate

C18H14ClFN2O3 — CID 53022232

IUPACmethyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)noc1NCc1ccccc1Cl
InChIInChI=1S/C18H14ClFN2O3/c1-24-18(23)15-16(11-6-8-13(20)9-7-11)22-25-17(15)21-10-12-4-2-3-5-14(12)19/h2-9,21H,10H2,1H3
InChIKeyUJYLDZPFAAYBAY-UHFFFAOYSA-N
MW360.77 g/mol
LogP4.53
Rot. Bonds5

About methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate

methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate (PubChem CID 53022232) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
PubChem CID53022232
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Namemethyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)noc1NCc1ccccc1Cl
InChIInChI=1S/C18H14ClFN2O3/c1-24-18(23)15-16(11-6-8-13(20)9-7-11)22-25-17(15)21-10-12-4-2-3-5-14(12)19/h2-9,21H,10H2,1H3
InChIKeyUJYLDZPFAAYBAY-UHFFFAOYSA-N
XLogP4.53
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate
CID 22581820
methyl 5-[[4-(dimethylamino)phenyl]methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 46358776
methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 53022317
methyl 5-(1,3-benzodioxol-5-ylmethylamino)-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 46358766
N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922592
methyl 3-(4-chlorophenyl)-5-(4-phenylbutan-2-ylamino)-1,2-oxazole-4-carboxylate
CID 22581789
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide
CID 141253549
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate
CID 4724267
ethyl 3-(4-chlorophenyl)-5-(2-methylpropanoylamino)-1,2-oxazole-4-carboxylate
CID 108742858
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate (CID 53022232) is methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)noc1NCc1ccccc1Cl.
What is the InChIKey of methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate?
The InChIKey is UJYLDZPFAAYBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-24-18(23)15-16(11-6-8-13(20)9-7-11)22-25-17(15)21-10-12-4-2-3-5-14(12)19/h2-9,21H,10H2,1H3.
What are the key properties of methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate?
methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate has a molecular weight of 360.77 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 53022232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).