ethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate

C27H24ClN3O5 — CID 68754803

IUPACethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3Cl)c2)n1
InChIInChI=1S/C27H24ClN3O5/c1-4-34-26(32)23-14-8-13-22(29-23)18-9-7-10-19(15-18)25-24(16(2)31-36-25)30-27(33)35-17(3)20-11-5-6-12-21(20)28/h5-15,17H,4H2,1-3H3,(H,30,33)
InChIKeyCPJXMVNJYJBEJL-UHFFFAOYSA-N
MW505.96 g/mol
LogP6.85
Rot. Bonds7

About ethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate

ethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate (PubChem CID 68754803) has the molecular formula C27H24ClN3O5 and a molecular weight of 505.96 g/mol. Its IUPAC name is ethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate
PubChem CID68754803
Molecular FormulaC27H24ClN3O5
Molecular Weight505.96 g/mol
Exact Mass505.14
IUPAC Nameethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3Cl)c2)n1
InChIInChI=1S/C27H24ClN3O5/c1-4-34-26(32)23-14-8-13-22(29-23)18-9-7-10-19(15-18)25-24(16(2)31-36-25)30-27(33)35-17(3)20-11-5-6-12-21(20)28/h5-15,17H,4H2,1-3H3,(H,30,33)
InChIKeyCPJXMVNJYJBEJL-UHFFFAOYSA-N
XLogP6.85
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.96
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]cyclohex-3-ene-1-carboxylate
CID 68751344
2-[[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]butanoic acid
CID 68885888
1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 22279640
2-[3-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]-4-fluorophenyl]acetic acid
CID 70875777
4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]benzoic acid
CID 90427142
ethyl 4-[4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]oxane-4-carboxylate
CID 71266743
1-(2-chlorophenyl)ethyl N-[3-methyl-5-[3-methyl-4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-4-yl]carbamate
CID 157234715
1-(2-chlorophenyl)ethyl N-[5-(4-cyanophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 22279580
3-[4-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]propanoic acid
CID 46240006
2-[4-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methyl]phenyl]acetic acid
CID 70875811
1-(2-chlorophenyl)ethyl N-[5-[4-(6-fluoro-1-methylpyridin-1-ium-3-yl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamate
CID 123391483
3-O-ethyl 1-O-methyl 3-[4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]azetidine-1,3-dicarboxylate
CID 71265493

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate (CID 68754803) is ethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(-c2cccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3Cl)c2)n1.
What is the InChIKey of ethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate?
The InChIKey is CPJXMVNJYJBEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O5/c1-4-34-26(32)23-14-8-13-22(29-23)18-9-7-10-19(15-18)25-24(16(2)31-36-25)30-27(33)35-17(3)20-11-5-6-12-21(20)28/h5-15,17H,4H2,1-3H3,(H,30,33).
What are the key properties of ethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate?
ethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate has a molecular weight of 505.96 g/mol, XLogP of 6.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 68754803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).