N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide

C26H22F2N2O2 — CID 26082693

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESC[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)cc1F
InChIInChI=1S/C26H22F2N2O2/c1-17(21-13-12-20(27)16-22(21)28)29-23(31)14-15-24-30-25(18-8-4-2-5-9-18)26(32-24)19-10-6-3-7-11-19/h2-13,16-17H,14-15H2,1H3,(H,29,31)/t17-/m0/s1
InChIKeyNEYUZGKGZRHQBN-KRWDZBQOSA-N
MW432.47 g/mol
LogP6.10
Rot. Bonds7

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 26082693) has the molecular formula C26H22F2N2O2 and a molecular weight of 432.47 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
PubChem CID26082693
Molecular FormulaC26H22F2N2O2
Molecular Weight432.47 g/mol
Exact Mass432.16
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESC[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)cc1F
InChIInChI=1S/C26H22F2N2O2/c1-17(21-13-12-20(27)16-22(21)28)29-23(31)14-15-24-30-25(18-8-4-2-5-9-18)26(32-24)19-10-6-3-7-11-19/h2-13,16-17H,14-15H2,1H3,(H,29,31)/t17-/m0/s1
InChIKeyNEYUZGKGZRHQBN-KRWDZBQOSA-N
XLogP6.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.47
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017196
N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 43038655
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 25472531
N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 37459895
N-[(1R)-1-(4-cyanophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 38648352
N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 42921779
3-[5-(3,5-difluorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164621381
N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 177351939
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 43035582
2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8596226

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (CID 26082693) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is C[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is NEYUZGKGZRHQBN-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H22F2N2O2/c1-17(21-13-12-20(27)16-22(21)28)29-23(31)14-15-24-30-25(18-8-4-2-5-9-18)26(32-24)19-10-6-3-7-11-19/h2-13,16-17H,14-15H2,1H3,(H,29,31)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 432.47 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 26082693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).