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

C16H21FN4O2 — CID 56790872

IUPACN-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCc1nc(C(NC(=O)CN(C)C(C)C)c2ccccc2F)no1
InChIInChI=1S/C16H21FN4O2/c1-10(2)21(4)9-14(22)19-15(16-18-11(3)23-20-16)12-7-5-6-8-13(12)17/h5-8,10,15H,9H2,1-4H3,(H,19,22)
InChIKeyPSDLKJAPFGMQEX-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.06
Rot. Bonds6

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

N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 56790872) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID56790872
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC NameN-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCc1nc(C(NC(=O)CN(C)C(C)C)c2ccccc2F)no1
InChIInChI=1S/C16H21FN4O2/c1-10(2)21(4)9-14(22)19-15(16-18-11(3)23-20-16)12-7-5-6-8-13(12)17/h5-8,10,15H,9H2,1-4H3,(H,19,22)
InChIKeyPSDLKJAPFGMQEX-UHFFFAOYSA-N
XLogP2.06
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 50994059
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide (CID 56790872) is N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide is Cc1nc(C(NC(=O)CN(C)C(C)C)c2ccccc2F)no1.
What is the InChIKey of N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is PSDLKJAPFGMQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-10(2)21(4)9-14(22)19-15(16-18-11(3)23-20-16)12-7-5-6-8-13(12)17/h5-8,10,15H,9H2,1-4H3,(H,19,22).
What are the key properties of N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 320.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 56790872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).