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

C27H23N5O5 — CID 42472213

IUPACN-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4cccc5nccnc45)c(C)o3)cc2)o1
InChIInChI=1S/C27H23N5O5/c1-16-22(14-30-25(33)20-4-3-5-21-24(20)29-13-12-28-21)32-27(36-16)17-6-8-18(9-7-17)31-26(34)23-11-10-19(37-23)15-35-2/h3-13H,14-15H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyNJBZUZOYBJQJCB-UHFFFAOYSA-N
MW497.51 g/mol
LogP4.51
Rot. Bonds8

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

N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide (PubChem CID 42472213) has the molecular formula C27H23N5O5 and a molecular weight of 497.51 g/mol. Its IUPAC name is N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide
PubChem CID42472213
Molecular FormulaC27H23N5O5
Molecular Weight497.51 g/mol
Exact Mass497.17
IUPAC NameN-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4cccc5nccnc45)c(C)o3)cc2)o1
InChIInChI=1S/C27H23N5O5/c1-16-22(14-30-25(33)20-4-3-5-21-24(20)29-13-12-28-21)32-27(36-16)17-6-8-18(9-7-17)31-26(34)23-11-10-19(37-23)15-35-2/h3-13H,14-15H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyNJBZUZOYBJQJCB-UHFFFAOYSA-N
XLogP4.51
TPSA132.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
CID 42451700
N-[4-[4-[[(4-ethenylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 118754618
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 42430218
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 26347714
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 26275930
5-(methoxymethyl)-N-[4-[5-methyl-4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
CID 26282410
5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42421181
N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701358
5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
CID 42167713
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide
CID 167894893
N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 86912094
methyl N-[4-[[[5-(methoxymethyl)furan-2-carbonyl]amino]methyl]phenyl]carbamate
CID 78902905

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide (CID 42472213) is N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide is COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4cccc5nccnc45)c(C)o3)cc2)o1.
What is the InChIKey of N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide?
The InChIKey is NJBZUZOYBJQJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O5/c1-16-22(14-30-25(33)20-4-3-5-21-24(20)29-13-12-28-21)32-27(36-16)17-6-8-18(9-7-17)31-26(34)23-11-10-19(37-23)15-35-2/h3-13H,14-15H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide?
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide has a molecular weight of 497.51 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 42472213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).