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

C23H21N5O — CID 56754033

IUPAC4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
SMILESNc1nccc(N2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)n1
InChIInChI=1S/C23H21N5O/c24-23-25-13-11-20(26-23)28-14-12-19-18(15-28)22(27-29-19)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-11,13,21H,12,14-15H2,(H2,24,25,26)
InChIKeyINYVYVLFNVYCKB-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.79
Rot. Bonds4

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

4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine (PubChem CID 56754033) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
PubChem CID56754033
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
SMILESNc1nccc(N2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)n1
InChIInChI=1S/C23H21N5O/c24-23-25-13-11-20(26-23)28-14-12-19-18(15-28)22(27-29-19)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-11,13,21H,12,14-15H2,(H2,24,25,26)
InChIKeyINYVYVLFNVYCKB-UHFFFAOYSA-N
XLogP3.79
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine
CID 56747199
2-amino-1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 56751609
1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 56747001
(2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide
CID 95221794
3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 45239748
1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylethanone
CID 29209508
methyl 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)acetate
CID 56741039
2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide
CID 56753169
4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine
CID 95551297
3-benzhydryl-5-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 42507660
3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide
CID 56751972
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine (CID 56754033) is 4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine is Nc1nccc(N2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)n1.
What is the InChIKey of 4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine?
The InChIKey is INYVYVLFNVYCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c24-23-25-13-11-20(26-23)28-14-12-19-18(15-28)22(27-29-19)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-11,13,21H,12,14-15H2,(H2,24,25,26).
What are the key properties of 4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine?
4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine has a molecular weight of 383.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 56754033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).