N-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

C22H27F2N3O3 — CID 11430058

IUPACN-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(CC2CCCC2)no1
InChIInChI=1S/C22H27F2N3O3/c1-2-5-19(25-20(28)11-15-8-16(23)12-17(24)9-15)22(29)26-21-13-18(27-30-21)10-14-6-3-4-7-14/h8-9,12-14,19H,2-7,10-11H2,1H3,(H,25,28)(H,26,29)
InChIKeyJGPSWMBKSJMPGL-UHFFFAOYSA-N
MW419.47 g/mol
LogP4.15
Rot. Bonds9

About N-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

N-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (PubChem CID 11430058) has the molecular formula C22H27F2N3O3 and a molecular weight of 419.47 g/mol. Its IUPAC name is N-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
PubChem CID11430058
Molecular FormulaC22H27F2N3O3
Molecular Weight419.47 g/mol
Exact Mass419.20
IUPAC NameN-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(CC2CCCC2)no1
InChIInChI=1S/C22H27F2N3O3/c1-2-5-19(25-20(28)11-15-8-16(23)12-17(24)9-15)22(29)26-21-13-18(27-30-21)10-14-6-3-4-7-14/h8-9,12-14,19H,2-7,10-11H2,1H3,(H,25,28)(H,26,29)
InChIKeyJGPSWMBKSJMPGL-UHFFFAOYSA-N
XLogP4.15
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The IUPAC name of N-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (CID 11430058) is N-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(CC2CCCC2)no1.
What is the InChIKey of N-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The InChIKey is JGPSWMBKSJMPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O3/c1-2-5-19(25-20(28)11-15-8-16(23)12-17(24)9-15)22(29)26-21-13-18(27-30-21)10-14-6-3-4-7-14/h8-9,12-14,19H,2-7,10-11H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
N-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide has a molecular weight of 419.47 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylmethyl)-1,2-oxazol-5-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 11430058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).