methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate

C26H23FN4O5 — CID 68752285

IUPACmethyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3F)nc2)nc1
InChIInChI=1S/C26H23FN4O5/c1-16-24(30-26(33)35-12-11-18-5-3-4-6-20(18)27)25(36-31-16)22-10-8-19(15-29-22)21-9-7-17(14-28-21)13-23(32)34-2/h3-10,14-15H,11-13H2,1-2H3,(H,30,33)
InChIKeyDSNXRNMDDQPJOV-UHFFFAOYSA-N
MW490.49 g/mol
LogP4.75
Rot. Bonds8

About methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate

methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate (PubChem CID 68752285) has the molecular formula C26H23FN4O5 and a molecular weight of 490.49 g/mol. Its IUPAC name is methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate
PubChem CID68752285
Molecular FormulaC26H23FN4O5
Molecular Weight490.49 g/mol
Exact Mass490.17
IUPAC Namemethyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3F)nc2)nc1
InChIInChI=1S/C26H23FN4O5/c1-16-24(30-26(33)35-12-11-18-5-3-4-6-20(18)27)25(36-31-16)22-10-8-19(15-29-22)21-9-7-17(14-28-21)13-23(32)34-2/h3-10,14-15H,11-13H2,1-2H3,(H,30,33)
InChIKeyDSNXRNMDDQPJOV-UHFFFAOYSA-N
XLogP4.75
TPSA116.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[4-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
CID 67368159
methyl 2-[4-[4-[4-[2-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate
CID 67368565
methyl 2-[3-[[4-[4-[2-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methyl]phenyl]acetate
CID 68749822
ethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate
CID 67523532
2-(2-methylphenyl)ethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 123769506
2-[2-[[4-[4-[2-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methyl]phenyl]acetic acid
CID 68754099
2-[5-[4-[4-[2-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]-3-pyridinyl]acetic acid
CID 68753323
2-(2-chlorophenyl)ethyl N-[3-methyl-5-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]-1,2-oxazol-4-yl]carbamate
CID 68750827
1-[4-[4-[3-methyl-4-[2-(2-methylphenyl)ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 67479846
methyl 2-[3-[4-[2-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]benzoate
CID 68754337
ethyl 2-[4-[5-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]phenyl]acetate
CID 68751433
2-aminoethyl 2-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetate
CID 70651118

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate (CID 68752285) is methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate is COC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3F)nc2)nc1.
What is the InChIKey of methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate?
The InChIKey is DSNXRNMDDQPJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O5/c1-16-24(30-26(33)35-12-11-18-5-3-4-6-20(18)27)25(36-31-16)22-10-8-19(15-29-22)21-9-7-17(14-28-21)13-23(32)34-2/h3-10,14-15H,11-13H2,1-2H3,(H,30,33).
What are the key properties of methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate?
methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate has a molecular weight of 490.49 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate is sourced from PubChem (CID 68752285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).