(2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C15H23N5O2 — CID 94032058

IUPAC(2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1cc(CN2CCN(C[C@H](O)Cn3cccn3)CC2)on1
InChIInChI=1S/C15H23N5O2/c1-13-9-15(22-17-13)12-19-7-5-18(6-8-19)10-14(21)11-20-4-2-3-16-20/h2-4,9,14,21H,5-8,10-12H2,1H3/t14-/m0/s1
InChIKeyVBFABLKFRPXDNG-AWEZNQCLSA-N
MW305.38 g/mol
LogP0.36
Rot. Bonds6

About (2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 94032058) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID94032058
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1cc(CN2CCN(C[C@H](O)Cn3cccn3)CC2)on1
InChIInChI=1S/C15H23N5O2/c1-13-9-15(22-17-13)12-19-7-5-18(6-8-19)10-14(21)11-20-4-2-3-16-20/h2-4,9,14,21H,5-8,10-12H2,1H3/t14-/m0/s1
InChIKeyVBFABLKFRPXDNG-AWEZNQCLSA-N
XLogP0.36
TPSA70.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110905121
(2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
CID 95309121
(2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 98765727
(2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95314172
(2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95309892
(2R)-1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95312285
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 134063596
1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol
CID 102538343
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405
(2R)-2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 79024601
5-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 94651558
(2R)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94393976

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 94032058) is (2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol is Cc1cc(CN2CCN(C[C@H](O)Cn3cccn3)CC2)on1.
What is the InChIKey of (2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is VBFABLKFRPXDNG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-13-9-15(22-17-13)12-19-7-5-18(6-8-19)10-14(21)11-20-4-2-3-16-20/h2-4,9,14,21H,5-8,10-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 305.38 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 94032058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).