2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C21H17FN4O3 — CID 110408532

IUPAC2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCc1oc(-c2ccccc2F)nc1CC(=O)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H17FN4O3/c1-13-17(24-21(28-13)15-9-5-6-10-16(15)22)11-18(27)23-12-19-25-26-20(29-19)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,23,27)
InChIKeyDCQTZHPMBCQNOZ-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.70
Rot. Bonds6

About 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 110408532) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID110408532
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCc1oc(-c2ccccc2F)nc1CC(=O)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H17FN4O3/c1-13-17(24-21(28-13)15-9-5-6-10-16(15)22)11-18(27)23-12-19-25-26-20(29-19)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,23,27)
InChIKeyDCQTZHPMBCQNOZ-UHFFFAOYSA-N
XLogP3.70
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
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N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
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2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
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2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide
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N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
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N-(3,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
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N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333805
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 24675874
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
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2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 110408532) is 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is Cc1oc(-c2ccccc2F)nc1CC(=O)NCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is DCQTZHPMBCQNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-13-17(24-21(28-13)15-9-5-6-10-16(15)22)11-18(27)23-12-19-25-26-20(29-19)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,23,27).
What are the key properties of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 392.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110408532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).