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

C19H26N2O3 — CID 111916814

IUPAC[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol
SMILESCc1noc(C)c1COc1ccc(CNC2(CO)CCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-14-18(15(2)24-21-14)12-23-17-7-5-16(6-8-17)11-20-19(13-22)9-3-4-10-19/h5-8,20,22H,3-4,9-13H2,1-2H3
InChIKeyLESUPVABQQBEFM-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.27
Rot. Bonds7

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

[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol (PubChem CID 111916814) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is [1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol
PubChem CID111916814
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol
SMILESCc1noc(C)c1COc1ccc(CNC2(CO)CCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-14-18(15(2)24-21-14)12-23-17-7-5-16(6-8-17)11-20-19(13-22)9-3-4-10-19/h5-8,20,22H,3-4,9-13H2,1-2H3
InChIKeyLESUPVABQQBEFM-UHFFFAOYSA-N
XLogP3.27
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol (CID 111916814) is [1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol is Cc1noc(C)c1COc1ccc(CNC2(CO)CCCC2)cc1.
What is the InChIKey of [1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol?
The InChIKey is LESUPVABQQBEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-18(15(2)24-21-14)12-23-17-7-5-16(6-8-17)11-20-19(13-22)9-3-4-10-19/h5-8,20,22H,3-4,9-13H2,1-2H3.
What are the key properties of [1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol?
[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol has a molecular weight of 330.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol is sourced from PubChem (CID 111916814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).