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

C18H32N4O2 — CID 110905121

IUPAC1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCc1cc(CN2CCN(CC(O)CN3CCC(C)CC3)CC2)on1
InChIInChI=1S/C18H32N4O2/c1-15-3-5-20(6-4-15)12-17(23)13-21-7-9-22(10-8-21)14-18-11-16(2)19-24-18/h11,15,17,23H,3-10,12-14H2,1-2H3
InChIKeyLRMFNBOELYVFCF-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.19
Rot. Bonds6

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

1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 110905121) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID110905121
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCc1cc(CN2CCN(CC(O)CN3CCC(C)CC3)CC2)on1
InChIInChI=1S/C18H32N4O2/c1-15-3-5-20(6-4-15)12-17(23)13-21-7-9-22(10-8-21)14-18-11-16(2)19-24-18/h11,15,17,23H,3-10,12-14H2,1-2H3
InChIKeyLRMFNBOELYVFCF-UHFFFAOYSA-N
XLogP1.19
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 110905121) is 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is Cc1cc(CN2CCN(CC(O)CN3CCC(C)CC3)CC2)on1.
What is the InChIKey of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is LRMFNBOELYVFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-15-3-5-20(6-4-15)12-17(23)13-21-7-9-22(10-8-21)14-18-11-16(2)19-24-18/h11,15,17,23H,3-10,12-14H2,1-2H3.
What are the key properties of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 336.48 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 110905121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).