2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol

C16H19F3N2O2 — CID 109398167

IUPAC2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol
SMILESCN(Cc1nc2cc(C(F)(F)F)ccc2o1)CC1CCCC1O
InChIInChI=1S/C16H19F3N2O2/c1-21(8-10-3-2-4-13(10)22)9-15-20-12-7-11(16(17,18)19)5-6-14(12)23-15/h5-7,10,13,22H,2-4,8-9H2,1H3
InChIKeyPFHGKGZXXPEIIL-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.44
Rot. Bonds4

About 2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol

2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol (PubChem CID 109398167) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol
PubChem CID109398167
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol
SMILESCN(Cc1nc2cc(C(F)(F)F)ccc2o1)CC1CCCC1O
InChIInChI=1S/C16H19F3N2O2/c1-21(8-10-3-2-4-13(10)22)9-15-20-12-7-11(16(17,18)19)5-6-14(12)23-15/h5-7,10,13,22H,2-4,8-9H2,1H3
InChIKeyPFHGKGZXXPEIIL-UHFFFAOYSA-N
XLogP3.44
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol (CID 109398167) is 2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol is CN(Cc1nc2cc(C(F)(F)F)ccc2o1)CC1CCCC1O.
What is the InChIKey of 2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is PFHGKGZXXPEIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-21(8-10-3-2-4-13(10)22)9-15-20-12-7-11(16(17,18)19)5-6-14(12)23-15/h5-7,10,13,22H,2-4,8-9H2,1H3.
What are the key properties of 2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol?
2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 328.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109398167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).