2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide

C23H28N4O3 — CID 142279925

IUPAC2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
SMILESCOc1cccc(-c2[nH]c(C)cc2C(=O)NCC2CCC(c3nnc(C)o3)CC2)c1
InChIInChI=1S/C23H28N4O3/c1-14-11-20(21(25-14)18-5-4-6-19(12-18)29-3)22(28)24-13-16-7-9-17(10-8-16)23-27-26-15(2)30-23/h4-6,11-12,16-17,25H,7-10,13H2,1-3H3,(H,24,28)
InChIKeySJVUABCPMJKRQI-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.39
Rot. Bonds6

About 2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide

2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 142279925) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
PubChem CID142279925
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
SMILESCOc1cccc(-c2[nH]c(C)cc2C(=O)NCC2CCC(c3nnc(C)o3)CC2)c1
InChIInChI=1S/C23H28N4O3/c1-14-11-20(21(25-14)18-5-4-6-19(12-18)29-3)22(28)24-13-16-7-9-17(10-8-16)23-27-26-15(2)30-23/h4-6,11-12,16-17,25H,7-10,13H2,1-3H3,(H,24,28)
InChIKeySJVUABCPMJKRQI-UHFFFAOYSA-N
XLogP4.39
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
CID 142280261
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide
CID 98076100
ethane;5-methyl-N-[[4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methyl]-2-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 142280282
2-(3-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 22308678
N-(cyclopropylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 166222786
cyclopropyl-[4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99963492
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-2-methylbenzamide
CID 98076082
2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70768557
4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 98065276
4-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide
CID 98065397
2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
CID 98065313
2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 113228962

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide (CID 142279925) is 2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide is COc1cccc(-c2[nH]c(C)cc2C(=O)NCC2CCC(c3nnc(C)o3)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is SJVUABCPMJKRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-14-11-20(21(25-14)18-5-4-6-19(12-18)29-3)22(28)24-13-16-7-9-17(10-8-16)23-27-26-15(2)30-23/h4-6,11-12,16-17,25H,7-10,13H2,1-3H3,(H,24,28).
What are the key properties of 2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide?
2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142279925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).