ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate

C18H16ClN3O3 — CID 164562760

IUPACethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccc(Cl)cc1Nc1cccnc1C
InChIInChI=1S/C18H16ClN3O3/c1-3-24-18(23)16-17(25-10-21-16)13-7-6-12(19)9-15(13)22-14-5-4-8-20-11(14)2/h4-10,22H,3H2,1-2H3
InChIKeyVZYDBFQHLVTOCC-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.62
Rot. Bonds5

About ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate

ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 164562760) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate
PubChem CID164562760
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Nameethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccc(Cl)cc1Nc1cccnc1C
InChIInChI=1S/C18H16ClN3O3/c1-3-24-18(23)16-17(25-10-21-16)13-7-6-12(19)9-15(13)22-14-5-4-8-20-11(14)2/h4-10,22H,3H2,1-2H3
InChIKeyVZYDBFQHLVTOCC-UHFFFAOYSA-N
XLogP4.62
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 82891107
ethyl 5-(2,3,4-trifluorophenyl)-1,3-oxazole-4-carboxylate
CID 79755764
ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 107099722
ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
CID 168859081
ethyl 5-(4-chloro-2,5-difluorophenyl)-1,3-oxazole-4-carboxylate
CID 82771967
5-chloro-2-[(2-methyl-3-pyridinyl)amino]benzenecarbothioamide
CID 79044071
ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate
CID 175523587
ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
ethyl 5-[2-(cyclohexylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973922
ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973901
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46942091

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate (CID 164562760) is ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1ccc(Cl)cc1Nc1cccnc1C.
What is the InChIKey of ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is VZYDBFQHLVTOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-3-24-18(23)16-17(25-10-21-16)13-7-6-12(19)9-15(13)22-14-5-4-8-20-11(14)2/h4-10,22H,3H2,1-2H3.
What are the key properties of ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate?
ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 357.80 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 164562760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).