3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide

C21H18ClFN4O2 — CID 46951654

IUPAC3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCn1c(-c2ccc(F)cc2)cnc1NC(=O)C1(C)CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C21H18ClFN4O2/c1-21(11-17(26-29-21)15-5-3-4-6-16(15)22)19(28)25-20-24-12-18(27(20)2)13-7-9-14(23)10-8-13/h3-10,12H,11H2,1-2H3,(H,24,25,28)
InChIKeyTUIFRNXEMCIXBM-UHFFFAOYSA-N
MW412.85 g/mol
LogP4.40
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide

3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 46951654) has the molecular formula C21H18ClFN4O2 and a molecular weight of 412.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID46951654
Molecular FormulaC21H18ClFN4O2
Molecular Weight412.85 g/mol
Exact Mass412.11
IUPAC Name3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCn1c(-c2ccc(F)cc2)cnc1NC(=O)C1(C)CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C21H18ClFN4O2/c1-21(11-17(26-29-21)15-5-3-4-6-16(15)22)19(28)25-20-24-12-18(27(20)2)13-7-9-14(23)10-8-13/h3-10,12H,11H2,1-2H3,(H,24,25,28)
InChIKeyTUIFRNXEMCIXBM-UHFFFAOYSA-N
XLogP4.40
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 46951661
(5R)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 51688209
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide
CID 91946065
(5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465587
(5S)-3-(2-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 51497722
(5R)-3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 100815723
3-(4-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 102551797
3-(4-fluorophenyl)-5-methyl-N-(1-methylpyrazol-3-yl)-4H-1,2-oxazole-5-carboxamide
CID 102551864
3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 46977673
3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 102551800
(5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide
CID 100756108
(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465304

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 46951654) is 3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide is Cn1c(-c2ccc(F)cc2)cnc1NC(=O)C1(C)CC(c2ccccc2Cl)=NO1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is TUIFRNXEMCIXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O2/c1-21(11-17(26-29-21)15-5-3-4-6-16(15)22)19(28)25-20-24-12-18(27(20)2)13-7-9-14(23)10-8-13/h3-10,12H,11H2,1-2H3,(H,24,25,28).
What are the key properties of 3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 412.85 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46951654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).