[(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

C16H27N3O2 — CID 70782105

IUPAC[(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCc1nc(CN2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)co1
InChIInChI=1S/C16H27N3O2/c1-13-17-16(12-21-13)10-19-8-14(15(9-19)11-20)7-18-5-3-2-4-6-18/h12,14-15,20H,2-11H2,1H3/t14-,15-/m1/s1
InChIKeyABCPOBBWSOTVJW-HUUCEWRRSA-N
MW293.41 g/mol
LogP1.51
Rot. Bonds5

About [(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 70782105) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is [(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID70782105
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name[(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCc1nc(CN2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)co1
InChIInChI=1S/C16H27N3O2/c1-13-17-16(12-21-13)10-19-8-14(15(9-19)11-20)7-18-5-3-2-4-6-18/h12,14-15,20H,2-11H2,1H3/t14-,15-/m1/s1
InChIKeyABCPOBBWSOTVJW-HUUCEWRRSA-N
XLogP1.51
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

4-(1,4-diazepan-1-ylmethyl)-2-methyl-1,3-oxazole
CID 121209349
1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 130996437
[(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 70724361
[(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70736905
N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide
CID 166602686
2-methyl-4-[[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 70731999
[(3S,4S)-1-(naphthalen-2-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 133112262
[(3S,4S)-4-(azepan-1-ylmethyl)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 133128512
[(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol
CID 133133541
[1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 78085255
[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 70713605
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 126900310

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol (CID 70782105) is [(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol is Cc1nc(CN2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)co1.
What is the InChIKey of [(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is ABCPOBBWSOTVJW-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13-17-16(12-21-13)10-19-8-14(15(9-19)11-20)7-18-5-3-2-4-6-18/h12,14-15,20H,2-11H2,1H3/t14-,15-/m1/s1.
What are the key properties of [(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 293.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70782105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).