cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol

C17H23FN2O2 — CID 167274613

About cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol

cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol (PubChem CID 167274613) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol.

Molecular Properties

• Compound Name: cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
• PubChem CID: 167274613
• Molecular Formula: C17H23FN2O2
• Molecular Weight: 306.38 g/mol
• Exact Mass: 306.17
• IUPAC Name: cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
• SMILES: Cc1c(CN[C@H]2CCC[C@H]2O)cc(F)c2oc(C(C)C)nc12
• InChI: InChI=1S/C17H23FN2O2/c1-9(2)17-20-15-10(3)11(7-12(18)16(15)22-17)8-19-13-5-4-6-14(13)21/h7,9,13-14,19,21H,4-6,8H2,1-3H3/t13-,14+/m0/s1
• InChIKey: XNTFDEWAOXBUBF-UONOGXRCSA-N
• XLogP: 3.40
• TPSA: 58.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.38
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?

The IUPAC name of cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol (CID 167274613) is cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol.

What is the SMILES notation for cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?

The canonical SMILES for cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol is Cc1c(CN[C@H]2CCC[C@H]2O)cc(F)c2oc(C(C)C)nc12.

What is the InChIKey of cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?

The InChIKey is XNTFDEWAOXBUBF-UONOGXRCSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-9(2)17-20-15-10(3)11(7-12(18)16(15)22-17)8-19-13-5-4-6-14(13)21/h7,9,13-14,19,21H,4-6,8H2,1-3H3/t13-,14+/m0/s1.

What are the key properties of cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol?

cis-(1R,2S)-2-[(7-fluoro-4-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 cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol is sourced from PubChem (CID 167274613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).