2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide

C21H24FN5O3 — CID 86890994

IUPAC2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
SMILESCC(C)CC(NC(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C21H24FN5O3/c1-13(2)11-16(21(29)26-18-9-10-24-27-18)25-19(28)7-8-20-23-12-17(30-20)14-5-3-4-6-15(14)22/h3-6,9-10,12-13,16H,7-8,11H2,1-2H3,(H,25,28)(H2,24,26,27,29)
InChIKeyMUKSDDDSVZKQMB-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.31
Rot. Bonds9

About 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide

2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide (PubChem CID 86890994) has the molecular formula C21H24FN5O3 and a molecular weight of 413.45 g/mol. Its IUPAC name is 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide.

Molecular Properties

Compound Name2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
PubChem CID86890994
Molecular FormulaC21H24FN5O3
Molecular Weight413.45 g/mol
Exact Mass413.19
IUPAC Name2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
SMILESCC(C)CC(NC(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C21H24FN5O3/c1-13(2)11-16(21(29)26-18-9-10-24-27-18)25-19(28)7-8-20-23-12-17(30-20)14-5-3-4-6-15(14)22/h3-6,9-10,12-13,16H,7-8,11H2,1-2H3,(H,25,28)(H2,24,26,27,29)
InChIKeyMUKSDDDSVZKQMB-UHFFFAOYSA-N
XLogP3.31
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methylpentanoic acid
CID 119361228
2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide
CID 86915668
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 22830619
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 18138235
N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 43067897
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41433415
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480516
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
2-[4-(3-bromophenoxy)butanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
CID 86891031
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 16591529
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide?
The IUPAC name of 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide (CID 86890994) is 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide.
What is the SMILES notation for 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide?
The canonical SMILES for 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide is CC(C)CC(NC(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide?
The InChIKey is MUKSDDDSVZKQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3/c1-13(2)11-16(21(29)26-18-9-10-24-27-18)25-19(28)7-8-20-23-12-17(30-20)14-5-3-4-6-15(14)22/h3-6,9-10,12-13,16H,7-8,11H2,1-2H3,(H,25,28)(H2,24,26,27,29).
What are the key properties of 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide?
2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide has a molecular weight of 413.45 g/mol, XLogP of 3.31, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide is sourced from PubChem (CID 86890994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).