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

C23H28F2N6O2 — CID 172790354

IUPAC2-(3,3-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnc(-c2ccc(C(C(=O)Nc3cc(CC(C)(C)C)no3)C3CCC(F)(F)C3)cc2)n1
InChIInChI=1S/C23H28F2N6O2/c1-22(2,3)13-17-11-18(33-29-17)26-21(32)19(16-9-10-23(24,25)12-16)14-5-7-15(8-6-14)20-27-30-31(4)28-20/h5-8,11,16,19H,9-10,12-13H2,1-4H3,(H,26,32)
InChIKeyPMEXNKPQFCHNBG-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.61
Rot. Bonds6

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

2-(3,3-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide (PubChem CID 172790354) has the molecular formula C23H28F2N6O2 and a molecular weight of 458.51 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
PubChem CID172790354
Molecular FormulaC23H28F2N6O2
Molecular Weight458.51 g/mol
Exact Mass458.22
IUPAC Name2-(3,3-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnc(-c2ccc(C(C(=O)Nc3cc(CC(C)(C)C)no3)C3CCC(F)(F)C3)cc2)n1
InChIInChI=1S/C23H28F2N6O2/c1-22(2,3)13-17-11-18(33-29-17)26-21(32)19(16-9-10-23(24,25)12-16)14-5-7-15(8-6-14)20-27-30-31(4)28-20/h5-8,11,16,19H,9-10,12-13H2,1-4H3,(H,26,32)
InChIKeyPMEXNKPQFCHNBG-UHFFFAOYSA-N
XLogP4.61
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.61
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)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide (CID 172790354) is 2-(3,3-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide is Cn1nnc(-c2ccc(C(C(=O)Nc3cc(CC(C)(C)C)no3)C3CCC(F)(F)C3)cc2)n1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The InChIKey is PMEXNKPQFCHNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N6O2/c1-22(2,3)13-17-11-18(33-29-17)26-21(32)19(16-9-10-23(24,25)12-16)14-5-7-15(8-6-14)20-27-30-31(4)28-20/h5-8,11,16,19H,9-10,12-13H2,1-4H3,(H,26,32).
What are the key properties of 2-(3,3-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
2-(3,3-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide has a molecular weight of 458.51 g/mol, XLogP of 4.61, 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)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 172790354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).