3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol

C22H25N3O2 — CID 95147375

IUPAC3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol
SMILESCC(C)c1cc(CN2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)on1
InChIInChI=1S/C22H25N3O2/c1-15(2)21-12-20(27-24-21)14-25-9-7-18(13-25)16-6-8-23-22(11-16)17-4-3-5-19(26)10-17/h3-6,8,10-12,15,18,26H,7,9,13-14H2,1-2H3/t18-/m1/s1
InChIKeyWBYNRZBJVMMNSP-GOSISDBHSA-N
MW363.46 g/mol
LogP4.56
Rot. Bonds5

About 3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol

3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol (PubChem CID 95147375) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol
PubChem CID95147375
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol
SMILESCC(C)c1cc(CN2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)on1
InChIInChI=1S/C22H25N3O2/c1-15(2)21-12-20(27-24-21)14-25-9-7-18(13-25)16-6-8-23-22(11-16)17-4-3-5-19(26)10-17/h3-6,8,10-12,15,18,26H,7,9,13-14H2,1-2H3/t18-/m1/s1
InChIKeyWBYNRZBJVMMNSP-GOSISDBHSA-N
XLogP4.56
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol?
The IUPAC name of 3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol (CID 95147375) is 3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol?
The canonical SMILES for 3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol is CC(C)c1cc(CN2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)on1.
What is the InChIKey of 3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol?
The InChIKey is WBYNRZBJVMMNSP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)21-12-20(27-24-21)14-25-9-7-18(13-25)16-6-8-23-22(11-16)17-4-3-5-19(26)10-17/h3-6,8,10-12,15,18,26H,7,9,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of 3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol?
3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol has a molecular weight of 363.46 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 95147375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).