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

C26H23F2N3O5 — CID 26350479

IUPACN-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)Cc4cccc(F)c4F)c(C)o3)cc2)o1
InChIInChI=1S/C26H23F2N3O5/c1-15-21(13-29-23(32)12-17-4-3-5-20(27)24(17)28)31-26(35-15)16-6-8-18(9-7-16)30-25(33)22-11-10-19(36-22)14-34-2/h3-11H,12-14H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyDRTASSLNUSCNOQ-UHFFFAOYSA-N
MW495.48 g/mol
LogP4.78
Rot. Bonds9

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

N-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 26350479) has the molecular formula C26H23F2N3O5 and a molecular weight of 495.48 g/mol. Its IUPAC name is N-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID26350479
Molecular FormulaC26H23F2N3O5
Molecular Weight495.48 g/mol
Exact Mass495.16
IUPAC NameN-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)Cc4cccc(F)c4F)c(C)o3)cc2)o1
InChIInChI=1S/C26H23F2N3O5/c1-15-21(13-29-23(32)12-17-4-3-5-20(27)24(17)28)31-26(35-15)16-6-8-18(9-7-16)30-25(33)22-11-10-19(36-22)14-34-2/h3-11H,12-14H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyDRTASSLNUSCNOQ-UHFFFAOYSA-N
XLogP4.78
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.48
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide 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-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide (CID 26350479) is N-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)Cc4cccc(F)c4F)c(C)o3)cc2)o1.
What is the InChIKey of N-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is DRTASSLNUSCNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O5/c1-15-21(13-29-23(32)12-17-4-3-5-20(27)24(17)28)31-26(35-15)16-6-8-18(9-7-16)30-25(33)22-11-10-19(36-22)14-34-2/h3-11H,12-14H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 495.48 g/mol, XLogP of 4.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 26350479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).