N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C17H19ClN6O2 — CID 55757376

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1
InChIInChI=1S/C17H19ClN6O2/c1-11(2)17-22-16(26-23-17)5-3-4-15(25)21-13-8-12(18)6-7-14(13)24-10-19-9-20-24/h6-11H,3-5H2,1-2H3,(H,21,25)
InChIKeySSWDTNFOAJPNEG-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.39
Rot. Bonds7

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55757376) has the molecular formula C17H19ClN6O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55757376
Molecular FormulaC17H19ClN6O2
Molecular Weight374.83 g/mol
Exact Mass374.13
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1
InChIInChI=1S/C17H19ClN6O2/c1-11(2)17-22-16(26-23-17)5-3-4-15(25)21-13-8-12(18)6-7-14(13)24-10-19-9-20-24/h6-11H,3-5H2,1-2H3,(H,21,25)
InChIKeySSWDTNFOAJPNEG-UHFFFAOYSA-N
XLogP3.39
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 55757376) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)c1noc(CCCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is SSWDTNFOAJPNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O2/c1-11(2)17-22-16(26-23-17)5-3-4-15(25)21-13-8-12(18)6-7-14(13)24-10-19-9-20-24/h6-11H,3-5H2,1-2H3,(H,21,25).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 374.83 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55757376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).