N-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide

C12H21N3O3 — CID 111577112

IUPACN-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(O)CCNC(=O)CCc1nnc(C(C)C)o1
InChIInChI=1S/C12H21N3O3/c1-8(2)12-15-14-11(18-12)5-4-10(17)13-7-6-9(3)16/h8-9,16H,4-7H2,1-3H3,(H,13,17)
InChIKeyOELCJXXDIWBEST-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.01
Rot. Bonds7

About N-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide

N-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 111577112) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID111577112
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(O)CCNC(=O)CCc1nnc(C(C)C)o1
InChIInChI=1S/C12H21N3O3/c1-8(2)12-15-14-11(18-12)5-4-10(17)13-7-6-9(3)16/h8-9,16H,4-7H2,1-3H3,(H,13,17)
InChIKeyOELCJXXDIWBEST-UHFFFAOYSA-N
XLogP1.01
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 111577112) is N-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide is CC(O)CCNC(=O)CCc1nnc(C(C)C)o1.
What is the InChIKey of N-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is OELCJXXDIWBEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(2)12-15-14-11(18-12)5-4-10(17)13-7-6-9(3)16/h8-9,16H,4-7H2,1-3H3,(H,13,17).
What are the key properties of N-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 255.32 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 111577112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).