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

C23H27N5O3 — CID 97024221

IUPACN-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n1
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)/t15-,16-/m0/s1
InChIKeyLISLWBSFXBXBQU-HOTGVXAUSA-N
MW421.50 g/mol
LogP4.12
Rot. Bonds5

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

N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 97024221) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID97024221
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n1
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)/t15-,16-/m0/s1
InChIKeyLISLWBSFXBXBQU-HOTGVXAUSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S,6S)-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-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide (CID 97024221) is N-[6-[(2S,6S)-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-[(2S,6S)-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-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide is CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n1.
What is the InChIKey of N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is LISLWBSFXBXBQU-HOTGVXAUSA-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)/t15-,16-/m0/s1.
What are the key properties of N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide?
N-[6-[(2S,6S)-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-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 97024221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).