cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol

C16H21FN2O2 — CID 166557590

IUPACcis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
SMILESCC(C)c1nc2cc(CN[C@@H]3CCC[C@@H]3O)cc(F)c2o1
InChIInChI=1S/C16H21FN2O2/c1-9(2)16-19-13-7-10(6-11(17)15(13)21-16)8-18-12-4-3-5-14(12)20/h6-7,9,12,14,18,20H,3-5,8H2,1-2H3/t12-,14+/m1/s1
InChIKeyMVIZYDPWEVKAQI-OCCSQVGLSA-N
MW292.35 g/mol
LogP3.09
Rot. Bonds4

About cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol

cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol (PubChem CID 166557590) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
PubChem CID166557590
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Namecis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
SMILESCC(C)c1nc2cc(CN[C@@H]3CCC[C@@H]3O)cc(F)c2o1
InChIInChI=1S/C16H21FN2O2/c1-9(2)16-19-13-7-10(6-11(17)15(13)21-16)8-18-12-4-3-5-14(12)20/h6-7,9,12,14,18,20H,3-5,8H2,1-2H3/t12-,14+/m1/s1
InChIKeyMVIZYDPWEVKAQI-OCCSQVGLSA-N
XLogP3.09
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol (CID 166557590) is cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol is CC(C)c1nc2cc(CN[C@@H]3CCC[C@@H]3O)cc(F)c2o1.
What is the InChIKey of cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?
The InChIKey is MVIZYDPWEVKAQI-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-9(2)16-19-13-7-10(6-11(17)15(13)21-16)8-18-12-4-3-5-14(12)20/h6-7,9,12,14,18,20H,3-5,8H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?
cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol has a molecular weight of 292.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol is sourced from PubChem (CID 166557590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).