N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide

C23H21F2N3O3 — CID 166330645

IUPACN'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
SMILESCc1c(CNC(=O)C(=O)NCC2(c3ccc(F)cc3F)CC2)noc1-c1ccccc1
InChIInChI=1S/C23H21F2N3O3/c1-14-19(28-31-20(14)15-5-3-2-4-6-15)12-26-21(29)22(30)27-13-23(9-10-23)17-8-7-16(24)11-18(17)25/h2-8,11H,9-10,12-13H2,1H3,(H,26,29)(H,27,30)
InChIKeySQUDCXTYSXINOX-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.39
Rot. Bonds6

About N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide

N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide (PubChem CID 166330645) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
PubChem CID166330645
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC NameN'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
SMILESCc1c(CNC(=O)C(=O)NCC2(c3ccc(F)cc3F)CC2)noc1-c1ccccc1
InChIInChI=1S/C23H21F2N3O3/c1-14-19(28-31-20(14)15-5-3-2-4-6-15)12-26-21(29)22(30)27-13-23(9-10-23)17-8-7-16(24)11-18(17)25/h2-8,11H,9-10,12-13H2,1H3,(H,26,29)(H,27,30)
InChIKeySQUDCXTYSXINOX-UHFFFAOYSA-N
XLogP3.39
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
CID 167823701
ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate
CID 110479352
3-methyl-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 166330669
3-[[1-(2,4-difluorophenyl)cyclopropyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122008220
(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120873749
2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 166330628
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide
CID 119036910
N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
CID 167938038
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide
CID 75393986
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 122066556
N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 114873246
4-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]cyclohexane-1-carboxylic acid
CID 122032249

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide?
The IUPAC name of N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide (CID 166330645) is N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide.
What is the SMILES notation for N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide?
The canonical SMILES for N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide is Cc1c(CNC(=O)C(=O)NCC2(c3ccc(F)cc3F)CC2)noc1-c1ccccc1.
What is the InChIKey of N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide?
The InChIKey is SQUDCXTYSXINOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c1-14-19(28-31-20(14)15-5-3-2-4-6-15)12-26-21(29)22(30)27-13-23(9-10-23)17-8-7-16(24)11-18(17)25/h2-8,11H,9-10,12-13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide?
N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide has a molecular weight of 425.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide is sourced from PubChem (CID 166330645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).