N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine

C16H23N5O — CID 77090912

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine
SMILESC=CCn1cc(CN(C)Cc2noc(C3CCCC3)n2)cn1
InChIInChI=1S/C16H23N5O/c1-3-8-21-11-13(9-17-21)10-20(2)12-15-18-16(22-19-15)14-6-4-5-7-14/h3,9,11,14H,1,4-8,10,12H2,2H3
InChIKeyKPXZHSMORUJILG-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.74
Rot. Bonds7

About N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine (PubChem CID 77090912) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine
PubChem CID77090912
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine
SMILESC=CCn1cc(CN(C)Cc2noc(C3CCCC3)n2)cn1
InChIInChI=1S/C16H23N5O/c1-3-8-21-11-13(9-17-21)10-20(2)12-15-18-16(22-19-15)14-6-4-5-7-14/h3,9,11,14H,1,4-8,10,12H2,2H3
InChIKeyKPXZHSMORUJILG-UHFFFAOYSA-N
XLogP2.74
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 75438087
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine
CID 91828772
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
CID 77097445
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(6-fluoro-1H-benzimidazol-2-yl)-N-methylmethanamine
CID 91843116
methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate
CID 167922337
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 131937175
4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 56719224
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 135092750
3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 61495208
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70752025
2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50956884

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine (CID 77090912) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine is C=CCn1cc(CN(C)Cc2noc(C3CCCC3)n2)cn1.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine?
The InChIKey is KPXZHSMORUJILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-8-21-11-13(9-17-21)10-20(2)12-15-18-16(22-19-15)14-6-4-5-7-14/h3,9,11,14H,1,4-8,10,12H2,2H3.
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine has a molecular weight of 301.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine is sourced from PubChem (CID 77090912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).