N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide

C21H18F2N4O4 — CID 66929054

IUPACN-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2ocnc2C(=O)Nc2cnn(Cc3ccc(C(C)(F)F)o3)c2)c1
InChIInChI=1S/C21H18F2N4O4/c1-21(22,23)17-7-6-16(31-17)11-27-10-14(9-25-27)26-20(28)18-19(30-12-24-18)13-4-3-5-15(8-13)29-2/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKeyNGORKCKKJRUXOX-UHFFFAOYSA-N
MW428.40 g/mol
LogP4.55
Rot. Bonds7

About N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide

N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 66929054) has the molecular formula C21H18F2N4O4 and a molecular weight of 428.40 g/mol. Its IUPAC name is N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID66929054
Molecular FormulaC21H18F2N4O4
Molecular Weight428.40 g/mol
Exact Mass428.13
IUPAC NameN-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2ocnc2C(=O)Nc2cnn(Cc3ccc(C(C)(F)F)o3)c2)c1
InChIInChI=1S/C21H18F2N4O4/c1-21(22,23)17-7-6-16(31-17)11-27-10-14(9-25-27)26-20(28)18-19(30-12-24-18)13-4-3-5-15(8-13)29-2/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKeyNGORKCKKJRUXOX-UHFFFAOYSA-N
XLogP4.55
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide 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-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 42646541
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963629
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 42644883
N-(3,5-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963660
N-[1-[2-(3-fluorophenoxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 126842418
N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963631
N-[1-[(5-acetylthiophen-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 66928374
N-(3-fluoro-4-methylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963666
ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate
CID 20963655
N-[2-(furan-2-yl)ethyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 46958823
3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212469
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19411696

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide (CID 66929054) is N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide is COc1cccc(-c2ocnc2C(=O)Nc2cnn(Cc3ccc(C(C)(F)F)o3)c2)c1.
What is the InChIKey of N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is NGORKCKKJRUXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O4/c1-21(22,23)17-7-6-16(31-17)11-27-10-14(9-25-27)26-20(28)18-19(30-12-24-18)13-4-3-5-15(8-13)29-2/h3-10,12H,11H2,1-2H3,(H,26,28).
What are the key properties of N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 428.40 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 66929054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).