N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

C20H15F2N3O3 — CID 167774022

IUPACN-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2ccccc2o1
InChIInChI=1S/C20H15F2N3O3/c1-25(20-24-15-4-2-3-5-16(15)28-20)19(26)9-8-18-23-11-17(27-18)13-7-6-12(21)10-14(13)22/h2-7,10-11H,8-9H2,1H3
InChIKeyQGVUVPKRMYYXHP-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.36
Rot. Bonds5

About N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (PubChem CID 167774022) has the molecular formula C20H15F2N3O3 and a molecular weight of 383.35 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
PubChem CID167774022
Molecular FormulaC20H15F2N3O3
Molecular Weight383.35 g/mol
Exact Mass383.11
IUPAC NameN-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2ccccc2o1
InChIInChI=1S/C20H15F2N3O3/c1-25(20-24-15-4-2-3-5-16(15)28-20)19(26)9-8-18-23-11-17(27-18)13-7-6-12(21)10-14(13)22/h2-7,10-11H,8-9H2,1H3
InChIKeyQGVUVPKRMYYXHP-UHFFFAOYSA-N
XLogP4.36
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-(1-phenylethyl)propanamide
CID 51312353
N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29415847
3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide
CID 55920671
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551955
N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590688
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16596271
(2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55486440
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-hydroxyethyl)-N-methylpropanamide
CID 110886027
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 52548576
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 78835275
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (CID 167774022) is N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is CN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2ccccc2o1.
What is the InChIKey of N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The InChIKey is QGVUVPKRMYYXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3/c1-25(20-24-15-4-2-3-5-16(15)28-20)19(26)9-8-18-23-11-17(27-18)13-7-6-12(21)10-14(13)22/h2-7,10-11H,8-9H2,1H3.
What are the key properties of N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide has a molecular weight of 383.35 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 167774022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).