2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

C21H24F2N6O2 — CID 172726871

IUPAC2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)c1cc(NC(=O)C(c2ccc(-c3nnn(C)n3)cc2)C2CCC(F)(F)C2)on1
InChIInChI=1S/C21H24F2N6O2/c1-12(2)16-10-17(31-27-16)24-20(30)18(15-8-9-21(22,23)11-15)13-4-6-14(7-5-13)19-25-28-29(3)26-19/h4-7,10,12,15,18H,8-9,11H2,1-3H3,(H,24,30)
InChIKeyHGMAPLPSNMCCBE-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.15
Rot. Bonds6

About 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 172726871) has the molecular formula C21H24F2N6O2 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID172726871
Molecular FormulaC21H24F2N6O2
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Name2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)c1cc(NC(=O)C(c2ccc(-c3nnn(C)n3)cc2)C2CCC(F)(F)C2)on1
InChIInChI=1S/C21H24F2N6O2/c1-12(2)16-10-17(31-27-16)24-20(30)18(15-8-9-21(22,23)11-15)13-4-6-14(7-5-13)19-25-28-29(3)26-19/h4-7,10,12,15,18H,8-9,11H2,1-3H3,(H,24,30)
InChIKeyHGMAPLPSNMCCBE-UHFFFAOYSA-N
XLogP4.15
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 172726871) is 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is CC(C)c1cc(NC(=O)C(c2ccc(-c3nnn(C)n3)cc2)C2CCC(F)(F)C2)on1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is HGMAPLPSNMCCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N6O2/c1-12(2)16-10-17(31-27-16)24-20(30)18(15-8-9-21(22,23)11-15)13-4-6-14(7-5-13)19-25-28-29(3)26-19/h4-7,10,12,15,18H,8-9,11H2,1-3H3,(H,24,30).
What are the key properties of 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 430.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 172726871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).