5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide

C19H20N4O3 — CID 77080553

IUPAC5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c1C
InChIInChI=1S/C19H20N4O3/c1-11-16(12(2)20-17(11)13(3)24)19(25)23(4)10-15-21-22-18(26-15)14-8-6-5-7-9-14/h5-9,20H,10H2,1-4H3
InChIKeyLZISVOMDEKAKAR-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.16
Rot. Bonds5

About 5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide

5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 77080553) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID77080553
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c1C
InChIInChI=1S/C19H20N4O3/c1-11-16(12(2)20-17(11)13(3)24)19(25)23(4)10-15-21-22-18(26-15)14-8-6-5-7-9-14/h5-9,20H,10H2,1-4H3
InChIKeyLZISVOMDEKAKAR-UHFFFAOYSA-N
XLogP3.16
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2081549
4-acetyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethyl-N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 17421343
4-O-ethyl 2-O-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2647416
N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide
CID 156584441
5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 131905709
3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 46978542
5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 70709269
1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide
CID 156587003
N,5,7-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77085010
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46979234
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide (CID 77080553) is 5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide is CC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c1C.
What is the InChIKey of 5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is LZISVOMDEKAKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11-16(12(2)20-17(11)13(3)24)19(25)23(4)10-15-21-22-18(26-15)14-8-6-5-7-9-14/h5-9,20H,10H2,1-4H3.
What are the key properties of 5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 77080553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).