(2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide

C22H23N3O2 — CID 95221794

IUPAC(2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide
SMILESC[C@@H](C(N)=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C22H23N3O2/c1-15(22(23)26)25-13-12-19-18(14-25)21(24-27-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,20H,12-14H2,1H3,(H2,23,26)/t15-/m0/s1
InChIKeyBELOWLMXSQEPCJ-HNNXBMFYSA-N
MW361.45 g/mol
LogP3.09
Rot. Bonds5

About (2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide

(2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide (PubChem CID 95221794) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide
PubChem CID95221794
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide
SMILESC[C@@H](C(N)=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C22H23N3O2/c1-15(22(23)26)25-13-12-19-18(14-25)21(24-27-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,20H,12-14H2,1H3,(H2,23,26)/t15-/m0/s1
InChIKeyBELOWLMXSQEPCJ-HNNXBMFYSA-N
XLogP3.09
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide with MolForge

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Related Compounds

1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 56747001
2-amino-1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 56751609
2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide
CID 56753169
methyl 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)acetate
CID 56741039
3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide
CID 56751972
1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylethanone
CID 29209508
2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid
CID 56739987
(2R)-N-methyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
CID 95394249
(2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
CID 95201830
4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 56754033
3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 45239748
3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 42507660

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide?
The IUPAC name of (2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide (CID 95221794) is (2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide.
What is the SMILES notation for (2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide?
The canonical SMILES for (2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide is C[C@@H](C(N)=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1.
What is the InChIKey of (2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide?
The InChIKey is BELOWLMXSQEPCJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(22(23)26)25-13-12-19-18(14-25)21(24-27-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,20H,12-14H2,1H3,(H2,23,26)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide?
(2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide has a molecular weight of 361.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide is sourced from PubChem (CID 95221794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).