N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide

C23H27N5O3 — CID 71879679

IUPACN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC1CN(c2ccc(NC(=O)c3ccccc3-c3nc(C(C)C)no3)cn2)CC(C)O1
InChIInChI=1S/C23H27N5O3/c1-14(2)21-26-23(31-27-21)19-8-6-5-7-18(19)22(29)25-17-9-10-20(24-11-17)28-12-15(3)30-16(4)13-28/h5-11,14-16H,12-13H2,1-4H3,(H,25,29)
InChIKeyLISLWBSFXBXBQU-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.12
Rot. Bonds5

About N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide

N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 71879679) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID71879679
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC1CN(c2ccc(NC(=O)c3ccccc3-c3nc(C(C)C)no3)cn2)CC(C)O1
InChIInChI=1S/C23H27N5O3/c1-14(2)21-26-23(31-27-21)19-8-6-5-7-18(19)22(29)25-17-9-10-20(24-11-17)28-12-15(3)30-16(4)13-28/h5-11,14-16H,12-13H2,1-4H3,(H,25,29)
InChIKeyLISLWBSFXBXBQU-UHFFFAOYSA-N
XLogP4.12
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide (CID 71879679) is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide is CC1CN(c2ccc(NC(=O)c3ccccc3-c3nc(C(C)C)no3)cn2)CC(C)O1.
What is the InChIKey of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is LISLWBSFXBXBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-14(2)21-26-23(31-27-21)19-8-6-5-7-18(19)22(29)25-17-9-10-20(24-11-17)28-12-15(3)30-16(4)13-28/h5-11,14-16H,12-13H2,1-4H3,(H,25,29).
What are the key properties of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide?
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 421.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 71879679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).