N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide

C21H26N4O2 — CID 77094118

IUPACN-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)c1ccc(-c2ccccc2)n1C
InChIInChI=1S/C21H26N4O2/c1-5-25(14-19-22-20(27-23-19)13-15(2)3)21(26)18-12-11-17(24(18)4)16-9-7-6-8-10-16/h6-12,15H,5,13-14H2,1-4H3
InChIKeyRMTRCNYEKUMWSS-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.94
Rot. Bonds7

About N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide

N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide (PubChem CID 77094118) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide
PubChem CID77094118
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)c1ccc(-c2ccccc2)n1C
InChIInChI=1S/C21H26N4O2/c1-5-25(14-19-22-20(27-23-19)13-15(2)3)21(26)18-12-11-17(24(18)4)16-9-7-6-8-10-16/h6-12,15H,5,13-14H2,1-4H3
InChIKeyRMTRCNYEKUMWSS-UHFFFAOYSA-N
XLogP3.94
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]carbamoyl]anilino]acetic acid
CID 46993302
(3S)-3-amino-4-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-4-oxobutanoic acid
CID 46995340
(2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 95140902
1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72871125
N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide
CID 162631833
N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide
CID 172667244
2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid
CID 62820805
N-ethyl-5-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 74238767
1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea
CID 119062779
3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]butanoic acid
CID 55122801
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide
CID 77095831
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(N-methylsulfonylanilino)propanamide
CID 131898274

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide (CID 77094118) is N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide is CCN(Cc1noc(CC(C)C)n1)C(=O)c1ccc(-c2ccccc2)n1C.
What is the InChIKey of N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide?
The InChIKey is RMTRCNYEKUMWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-5-25(14-19-22-20(27-23-19)13-15(2)3)21(26)18-12-11-17(24(18)4)16-9-7-6-8-10-16/h6-12,15H,5,13-14H2,1-4H3.
What are the key properties of N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide?
N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 77094118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).