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

C21H24F2N6O2 — CID 166456764

IUPAC(2S)-2-[(1S)-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@H](c2ccc(-c3nnn(C)n3)cc2)[C@H]2CCC(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)/t15-,18+/m0/s1
InChIKeyHGMAPLPSNMCCBE-MAUKXSAKSA-N
MW430.46 g/mol
LogP4.15
Rot. Bonds6

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

(2S)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 166456764) has the molecular formula C21H24F2N6O2 and a molecular weight of 430.46 g/mol. Its IUPAC name is (2S)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID166456764
Molecular FormulaC21H24F2N6O2
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Name(2S)-2-[(1S)-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@H](c2ccc(-c3nnn(C)n3)cc2)[C@H]2CCC(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)/t15-,18+/m0/s1
InChIKeyHGMAPLPSNMCCBE-MAUKXSAKSA-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

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

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

Launch Full Analysis

Related Compounds

WO2022098970, Example 221
CID 163291878
WO2022098970, Example 2
CID 163291922
WO2022098970, Example 222
CID 163292006
WO2022098970, Example 4
CID 163292071
WO2022098970, Example 153
CID 163292183
WO2022098970, Example 154
CID 163292217
WO2022098970, Example 6
CID 164607711
WO2022098970, Example 7
CID 163291890
WO2022098970, Example 3
CID 163291969
WO2022098970, Example 5
CID 163292023
WO2022098970, Example 1
CID 163292070
N-(3-(tert-butyl)isoxazol-5-yl)-2-(4-(trifluoromethyl)phenyl)-2H-tetrazole-5-carboxamide
CID 71791532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-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 (2S)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 166456764) is (2S)-2-[(1S)-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 (2S)-2-[(1S)-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 (2S)-2-[(1S)-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@H](c2ccc(-c3nnn(C)n3)cc2)[C@H]2CCC(F)(F)C2)on1.
What is the InChIKey of (2S)-2-[(1S)-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-MAUKXSAKSA-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)/t15-,18+/m0/s1.
What are the key properties of (2S)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
(2S)-2-[(1S)-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 (2S)-2-[(1S)-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 166456764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).