2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide

C16H15FN6O3 — CID 167788402

IUPAC2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESO=C(COCc1nc(C2CC2)no1)Nc1ccc(-c2ncn[nH]2)cc1F
InChIInChI=1S/C16H15FN6O3/c17-11-5-10(15-18-8-19-22-15)3-4-12(11)20-13(24)6-25-7-14-21-16(23-26-14)9-1-2-9/h3-5,8-9H,1-2,6-7H2,(H,20,24)(H,18,19,22)
InChIKeyPHTNMQGZQUSSJC-UHFFFAOYSA-N
MW358.33 g/mol
LogP2.03
Rot. Bonds7

About 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide (PubChem CID 167788402) has the molecular formula C16H15FN6O3 and a molecular weight of 358.33 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
PubChem CID167788402
Molecular FormulaC16H15FN6O3
Molecular Weight358.33 g/mol
Exact Mass358.12
IUPAC Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESO=C(COCc1nc(C2CC2)no1)Nc1ccc(-c2ncn[nH]2)cc1F
InChIInChI=1S/C16H15FN6O3/c17-11-5-10(15-18-8-19-22-15)3-4-12(11)20-13(24)6-25-7-14-21-16(23-26-14)9-1-2-9/h3-5,8-9H,1-2,6-7H2,(H,20,24)(H,18,19,22)
InChIKeyPHTNMQGZQUSSJC-UHFFFAOYSA-N
XLogP2.03
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide (CID 167788402) is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide is O=C(COCc1nc(C2CC2)no1)Nc1ccc(-c2ncn[nH]2)cc1F.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The InChIKey is PHTNMQGZQUSSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O3/c17-11-5-10(15-18-8-19-22-15)3-4-12(11)20-13(24)6-25-7-14-21-16(23-26-14)9-1-2-9/h3-5,8-9H,1-2,6-7H2,(H,20,24)(H,18,19,22).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide has a molecular weight of 358.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[2-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 167788402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).