N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C25H25FN4O2 — CID 55707004

IUPACN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)n1
InChIInChI=1S/C25H25FN4O2/c1-17-15-18(2)30(29-17)20-9-7-19(8-10-20)13-14-27-24(31)11-12-25-28-16-23(32-25)21-5-3-4-6-22(21)26/h3-10,15-16H,11-14H2,1-2H3,(H,27,31)
InChIKeyHJUWUSSPEWWOLH-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.57
Rot. Bonds8

About N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 55707004) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID55707004
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)n1
InChIInChI=1S/C25H25FN4O2/c1-17-15-18(2)30(29-17)20-9-7-19(8-10-20)13-14-27-24(31)11-12-25-28-16-23(32-25)21-5-3-4-6-22(21)26/h3-10,15-16H,11-14H2,1-2H3,(H,27,31)
InChIKeyHJUWUSSPEWWOLH-UHFFFAOYSA-N
XLogP4.57
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 55707139
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 46476578
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119506652
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 29494556
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119446701
3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 55707001
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 18137319
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86836130
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 46476253
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 134036129

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 55707004) is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is Cc1cc(C)n(-c2ccc(CCNC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)n1.
What is the InChIKey of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is HJUWUSSPEWWOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-17-15-18(2)30(29-17)20-9-7-19(8-10-20)13-14-27-24(31)11-12-25-28-16-23(32-25)21-5-3-4-6-22(21)26/h3-10,15-16H,11-14H2,1-2H3,(H,27,31).
What are the key properties of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 432.50 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 55707004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).