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

C25H26N4O5 — CID 42430218

IUPACN-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4[nH]c(C)cc4C)c(C)o3)cc2)o1
InChIInChI=1S/C25H26N4O5/c1-14-11-15(2)27-22(14)24(31)26-12-20-16(3)33-25(29-20)17-5-7-18(8-6-17)28-23(30)21-10-9-19(34-21)13-32-4/h5-11,27H,12-13H2,1-4H3,(H,26,31)(H,28,30)
InChIKeyBJOVAHNOXKURFJ-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.52
Rot. Bonds8

About 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

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 (PubChem CID 42430218) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID42430218
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC NameN-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4[nH]c(C)cc4C)c(C)o3)cc2)o1
InChIInChI=1S/C25H26N4O5/c1-14-11-15(2)27-22(14)24(31)26-12-20-16(3)33-25(29-20)17-5-7-18(8-6-17)28-23(30)21-10-9-19(34-21)13-32-4/h5-11,27H,12-13H2,1-4H3,(H,26,31)(H,28,30)
InChIKeyBJOVAHNOXKURFJ-UHFFFAOYSA-N
XLogP4.52
TPSA122.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
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]-1,2,5-thiadiazole-3-carboxamide
CID 26347714
5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-methylsulfanylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
CID 42451700
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]quinoxaline-5-carboxamide
CID 42472213
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
5-(methoxymethyl)-N-(2-methyl-1H-indol-5-yl)furan-2-carboxamide
CID 86930455
5-(methoxymethyl)-N-[4-[5-methyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
CID 42167713
methyl N-[4-[[[5-(methoxymethyl)furan-2-carbonyl]amino]methyl]phenyl]carbamate
CID 78902905
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
1-(3,4-dimethylphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 20955588

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]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)c4[nH]c(C)cc4C)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]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is BJOVAHNOXKURFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-14-11-15(2)27-22(14)24(31)26-12-20-16(3)33-25(29-20)17-5-7-18(8-6-17)28-23(30)21-10-9-19(34-21)13-32-4/h5-11,27H,12-13H2,1-4H3,(H,26,31)(H,28,30).
What are the key properties of 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?
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 has a molecular weight of 462.51 g/mol, XLogP of 4.52, 8 rotatable bonds, 3 hydrogen bond donors, and 6 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]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 42430218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).