2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol

C17H23FN2O2 — CID 166556863

IUPAC2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
SMILESCc1c(F)c(CNC2CCCC2O)cc2nc(C(C)C)oc12
InChIInChI=1S/C17H23FN2O2/c1-9(2)17-20-13-7-11(15(18)10(3)16(13)22-17)8-19-12-5-4-6-14(12)21/h7,9,12,14,19,21H,4-6,8H2,1-3H3
InChIKeyXMECRFNNPAUQGT-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.40
Rot. Bonds4

About 2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol

2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol (PubChem CID 166556863) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
PubChem CID166556863
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
SMILESCc1c(F)c(CNC2CCCC2O)cc2nc(C(C)C)oc12
InChIInChI=1S/C17H23FN2O2/c1-9(2)17-20-13-7-11(15(18)10(3)16(13)22-17)8-19-12-5-4-6-14(12)21/h7,9,12,14,19,21H,4-6,8H2,1-3H3
InChIKeyXMECRFNNPAUQGT-UHFFFAOYSA-N
XLogP3.40
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?
The IUPAC name of 2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol (CID 166556863) is 2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol.
What is the SMILES notation for 2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?
The canonical SMILES for 2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol is Cc1c(F)c(CNC2CCCC2O)cc2nc(C(C)C)oc12.
What is the InChIKey of 2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?
The InChIKey is XMECRFNNPAUQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-9(2)17-20-13-7-11(15(18)10(3)16(13)22-17)8-19-12-5-4-6-14(12)21/h7,9,12,14,19,21H,4-6,8H2,1-3H3.
What are the key properties of 2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?
2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol has a molecular weight of 306.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol is sourced from PubChem (CID 166556863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).