N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide

C20H28N4O2 — CID 50982014

IUPACN-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCCCc1nc(CN(C)C(=O)C2(Nc3ccc(C)cc3)CCCC2)no1
InChIInChI=1S/C20H28N4O2/c1-4-7-18-21-17(23-26-18)14-24(3)19(25)20(12-5-6-13-20)22-16-10-8-15(2)9-11-16/h8-11,22H,4-7,12-14H2,1-3H3
InChIKeyRVFKFXXSXTZQEP-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.71
Rot. Bonds7

About N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide

N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 50982014) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID50982014
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCCCc1nc(CN(C)C(=O)C2(Nc3ccc(C)cc3)CCCC2)no1
InChIInChI=1S/C20H28N4O2/c1-4-7-18-21-17(23-26-18)14-24(3)19(25)20(12-5-6-13-20)22-16-10-8-15(2)9-11-16/h8-11,22H,4-7,12-14H2,1-3H3
InChIKeyRVFKFXXSXTZQEP-UHFFFAOYSA-N
XLogP3.71
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

1-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50994137
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
CID 22493359
N,N-Diethyl-2-{4-[4-(5-ethyl-[1,2,4]oxadiazol-3-yl)-2-fluoro-phenyl]-piperazin-1-yl}-2-phenyl-acetamide
CID 42647046
N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055738
N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055782
2-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-[(1S)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 44528230
2-(4-methylanilino)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 71662944
N-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57510018
US11066396, Example 345
CID 132257937
US11066396, Example 20
CID 132258329
US11066396, Example 109
CID 132258464
US11066396, Example 340
CID 132258764

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide (CID 50982014) is N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide is CCCc1nc(CN(C)C(=O)C2(Nc3ccc(C)cc3)CCCC2)no1.
What is the InChIKey of N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is RVFKFXXSXTZQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-7-18-21-17(23-26-18)14-24(3)19(25)20(12-5-6-13-20)22-16-10-8-15(2)9-11-16/h8-11,22H,4-7,12-14H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide?
N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylanilino)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 50982014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).