(2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol

C17H25N3O4 — CID 95271858

IUPAC(2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCc1cc(CN2CCN(C[C@H](O)COCc3ccco3)CC2)no1
InChIInChI=1S/C17H25N3O4/c1-14-9-15(18-24-14)10-19-4-6-20(7-5-19)11-16(21)12-22-13-17-3-2-8-23-17/h2-3,8-9,16,21H,4-7,10-13H2,1H3/t16-/m0/s1
InChIKeyMDLJLQZJYMPJDN-INIZCTEOSA-N
MW335.40 g/mol
LogP1.27
Rot. Bonds8

About (2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol

(2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 95271858) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID95271858
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name(2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCc1cc(CN2CCN(C[C@H](O)COCc3ccco3)CC2)no1
InChIInChI=1S/C17H25N3O4/c1-14-9-15(18-24-14)10-19-4-6-20(7-5-19)11-16(21)12-22-13-17-3-2-8-23-17/h2-3,8-9,16,21H,4-7,10-13H2,1H3/t16-/m0/s1
InChIKeyMDLJLQZJYMPJDN-INIZCTEOSA-N
XLogP1.27
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 3681676
(2S)-1-(furan-2-ylmethoxy)-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124778946
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol (CID 95271858) is (2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol is Cc1cc(CN2CCN(C[C@H](O)COCc3ccco3)CC2)no1.
What is the InChIKey of (2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is MDLJLQZJYMPJDN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-14-9-15(18-24-14)10-19-4-6-20(7-5-19)11-16(21)12-22-13-17-3-2-8-23-17/h2-3,8-9,16,21H,4-7,10-13H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol?
(2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 335.40 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95271858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).