2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide

C18H19FN4O3 — CID 166286089

IUPAC2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
SMILESO=C(Cc1noc2ccc(F)cc12)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C18H19FN4O3/c19-12-2-3-17-13(8-12)14(22-26-17)9-18(25)21-15-6-11(7-16(15)24)10-23-5-1-4-20-23/h1-5,8,11,15-16,24H,6-7,9-10H2,(H,21,25)/t11?,15-,16-/m1/s1
InChIKeyDGDDXPQBLZLTCS-HJWAUIETSA-N
MW358.37 g/mol
LogP1.66
Rot. Bonds5

About 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide

2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide (PubChem CID 166286089) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
PubChem CID166286089
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
SMILESO=C(Cc1noc2ccc(F)cc12)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C18H19FN4O3/c19-12-2-3-17-13(8-12)14(22-26-17)9-18(25)21-15-6-11(7-16(15)24)10-23-5-1-4-20-23/h1-5,8,11,15-16,24H,6-7,9-10H2,(H,21,25)/t11?,15-,16-/m1/s1
InChIKeyDGDDXPQBLZLTCS-HJWAUIETSA-N
XLogP1.66
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide
CID 166286085
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 146110037
2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
CID 146113876
2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide
CID 128759287
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 167791193
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
CID 166286123
N-(2-amino-2-phenylethyl)-2-(5-fluoro-1,2-benzoxazol-3-yl)acetamide
CID 154849017
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide
CID 166286067
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide
CID 146110013
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide
CID 146113903
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methylindol-1-yl)acetamide
CID 166286144
2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
CID 167877600

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide?
The IUPAC name of 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide (CID 166286089) is 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide is O=C(Cc1noc2ccc(F)cc12)N[C@@H]1CC(Cn2cccn2)C[C@H]1O.
What is the InChIKey of 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide?
The InChIKey is DGDDXPQBLZLTCS-HJWAUIETSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-12-2-3-17-13(8-12)14(22-26-17)9-18(25)21-15-6-11(7-16(15)24)10-23-5-1-4-20-23/h1-5,8,11,15-16,24H,6-7,9-10H2,(H,21,25)/t11?,15-,16-/m1/s1.
What are the key properties of 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide?
2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide has a molecular weight of 358.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide is sourced from PubChem (CID 166286089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).