[1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol

C18H24ClN3O2 — CID 84587725

IUPAC[1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol
SMILESCc1nc(CNc2cc(Cl)ccc2N2CCC(CO)CC2)oc1C
InChIInChI=1S/C18H24ClN3O2/c1-12-13(2)24-18(21-12)10-20-16-9-15(19)3-4-17(16)22-7-5-14(11-23)6-8-22/h3-4,9,14,20,23H,5-8,10-11H2,1-2H3
InChIKeyXWCSCAHQNVTSKN-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.77
Rot. Bonds5

About [1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol

[1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol (PubChem CID 84587725) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is [1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol
PubChem CID84587725
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name[1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol
SMILESCc1nc(CNc2cc(Cl)ccc2N2CCC(CO)CC2)oc1C
InChIInChI=1S/C18H24ClN3O2/c1-12-13(2)24-18(21-12)10-20-16-9-15(19)3-4-17(16)22-7-5-14(11-23)6-8-22/h3-4,9,14,20,23H,5-8,10-11H2,1-2H3
InChIKeyXWCSCAHQNVTSKN-UHFFFAOYSA-N
XLogP3.77
TPSA61.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol (CID 84587725) is [1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol is Cc1nc(CNc2cc(Cl)ccc2N2CCC(CO)CC2)oc1C.
What is the InChIKey of [1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol?
The InChIKey is XWCSCAHQNVTSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-12-13(2)24-18(21-12)10-20-16-9-15(19)3-4-17(16)22-7-5-14(11-23)6-8-22/h3-4,9,14,20,23H,5-8,10-11H2,1-2H3.
What are the key properties of [1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol?
[1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol has a molecular weight of 349.86 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 84587725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).