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

C19H17F5N6O2 — CID 166456807

IUPAC2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide
SMILESCn1nnc(-c2ccc(C(C(=O)Nc3cc(C(F)(F)F)no3)C3CCC(F)(F)C3)cc2)n1
InChIInChI=1S/C19H17F5N6O2/c1-30-27-16(26-29-30)11-4-2-10(3-5-11)15(12-6-7-18(20,21)9-12)17(31)25-14-8-13(28-32-14)19(22,23)24/h2-5,8,12,15H,6-7,9H2,1H3,(H,25,31)
InChIKeyXWWONIWGACBHBN-UHFFFAOYSA-N
MW456.38 g/mol
LogP4.04
Rot. Bonds5

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

2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 166456807) has the molecular formula C19H17F5N6O2 and a molecular weight of 456.38 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide
PubChem CID166456807
Molecular FormulaC19H17F5N6O2
Molecular Weight456.38 g/mol
Exact Mass456.13
IUPAC Name2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide
SMILESCn1nnc(-c2ccc(C(C(=O)Nc3cc(C(F)(F)F)no3)C3CCC(F)(F)C3)cc2)n1
InChIInChI=1S/C19H17F5N6O2/c1-30-27-16(26-29-30)11-4-2-10(3-5-11)15(12-6-7-18(20,21)9-12)17(31)25-14-8-13(28-32-14)19(22,23)24/h2-5,8,12,15H,6-7,9H2,1H3,(H,25,31)
InChIKeyXWWONIWGACBHBN-UHFFFAOYSA-N
XLogP4.04
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 172726871
(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
2-(3,3-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 172790354
2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 166456606
N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 166456660
(2S)-N-(5-bromo-1,3,4-thiadiazol-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 166456667
2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 166456610
N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 166456724
(2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 166456823
2-[4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]phenyl]-2-(3,3-difluorocyclopentyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 167286862
(2S)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 167286834
(2S)-2-(3,4-dicyanophenyl)-2-[(1S)-3,3-difluorocyclopentyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
CID 166456590

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide (CID 166456807) is 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[3-(trifluoromethyl)-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-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide is Cn1nnc(-c2ccc(C(C(=O)Nc3cc(C(F)(F)F)no3)C3CCC(F)(F)C3)cc2)n1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is XWWONIWGACBHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N6O2/c1-30-27-16(26-29-30)11-4-2-10(3-5-11)15(12-6-7-18(20,21)9-12)17(31)25-14-8-13(28-32-14)19(22,23)24/h2-5,8,12,15H,6-7,9H2,1H3,(H,25,31).
What are the key properties of 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide?
2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 456.38 g/mol, XLogP of 4.04, 5 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-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 166456807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).