3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide

C22H19F2N5O2 — CID 24597051

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C22H19F2N5O2/c1-14(15-5-7-16(8-6-15)29-13-25-12-27-29)28-20(30)9-10-21-26-11-19(31-21)22-17(23)3-2-4-18(22)24/h2-8,11-14H,9-10H2,1H3,(H,28,30)
InChIKeyCVWFCHBQYRBAFX-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.01
Rot. Bonds7

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (PubChem CID 24597051) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
PubChem CID24597051
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C22H19F2N5O2/c1-14(15-5-7-16(8-6-15)29-13-25-12-27-29)28-20(30)9-10-21-26-11-19(31-21)22-17(23)3-2-4-18(22)24/h2-8,11-14H,9-10H2,1H3,(H,28,30)
InChIKeyCVWFCHBQYRBAFX-UHFFFAOYSA-N
XLogP4.01
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-4-ylethyl)propanamide
CID 46418774
N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30171895
3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 25397843
3-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 17398792
N-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18138575
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 32597256
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 30873277
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 46688995
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
3-(3,5-dimethoxyphenyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 51232193
N-[4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]-3-methylbutanamide
CID 33037356
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 47017963

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (CID 24597051) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide is CC(NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The InChIKey is CVWFCHBQYRBAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c1-14(15-5-7-16(8-6-15)29-13-25-12-27-29)28-20(30)9-10-21-26-11-19(31-21)22-17(23)3-2-4-18(22)24/h2-8,11-14H,9-10H2,1H3,(H,28,30).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide has a molecular weight of 423.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 24597051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).