2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide

C19H26N4O3 — CID 120792048

IUPAC2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide
SMILESCCc1noc(-c2ccc(CCNC(=O)C(N)C3CCOCC3)cc2)n1
InChIInChI=1S/C19H26N4O3/c1-2-16-22-19(26-23-16)15-5-3-13(4-6-15)7-10-21-18(24)17(20)14-8-11-25-12-9-14/h3-6,14,17H,2,7-12,20H2,1H3,(H,21,24)
InChIKeyUPUVOWXKBDHZEP-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.71
Rot. Bonds7

About 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide

2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide (PubChem CID 120792048) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide
PubChem CID120792048
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide
SMILESCCc1noc(-c2ccc(CCNC(=O)C(N)C3CCOCC3)cc2)n1
InChIInChI=1S/C19H26N4O3/c1-2-16-22-19(26-23-16)15-5-3-13(4-6-15)7-10-21-18(24)17(20)14-8-11-25-12-9-14/h3-6,14,17H,2,7-12,20H2,1H3,(H,21,24)
InChIKeyUPUVOWXKBDHZEP-UHFFFAOYSA-N
XLogP1.71
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide (CID 120792048) is 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide is CCc1noc(-c2ccc(CCNC(=O)C(N)C3CCOCC3)cc2)n1.
What is the InChIKey of 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide?
The InChIKey is UPUVOWXKBDHZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-16-22-19(26-23-16)15-5-3-13(4-6-15)7-10-21-18(24)17(20)14-8-11-25-12-9-14/h3-6,14,17H,2,7-12,20H2,1H3,(H,21,24).
What are the key properties of 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120792048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).