N-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide

C24H25F2N3O3 — CID 42210510

IUPACN-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
SMILESCc1oc(-c2cccc(NC(=O)CC(C)C)c2)nc1CNC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C24H25F2N3O3/c1-14(2)7-23(31)28-20-6-4-5-17(11-20)24-29-21(15(3)32-24)13-27-22(30)10-16-8-18(25)12-19(26)9-16/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,27,30)(H,28,31)
InChIKeySNEHGJJJDLUZMV-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.77
Rot. Bonds8

About N-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide

N-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide (PubChem CID 42210510) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
PubChem CID42210510
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC NameN-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
SMILESCc1oc(-c2cccc(NC(=O)CC(C)C)c2)nc1CNC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C24H25F2N3O3/c1-14(2)7-23(31)28-20-6-4-5-17(11-20)24-29-21(15(3)32-24)13-27-22(30)10-16-8-18(25)12-19(26)9-16/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,27,30)(H,28,31)
InChIKeySNEHGJJJDLUZMV-UHFFFAOYSA-N
XLogP4.77
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide (CID 42210510) is N-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide is Cc1oc(-c2cccc(NC(=O)CC(C)C)c2)nc1CNC(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of N-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide?
The InChIKey is SNEHGJJJDLUZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c1-14(2)7-23(31)28-20-6-4-5-17(11-20)24-29-21(15(3)32-24)13-27-22(30)10-16-8-18(25)12-19(26)9-16/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide?
N-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide has a molecular weight of 441.48 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[[2-(3,5-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 42210510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).