[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone

C15H25N3O2 — CID 120803741

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
SMILESCCC(CC)c1cc(C(=O)N2CCC(C)(CN)C2)on1
InChIInChI=1S/C15H25N3O2/c1-4-11(5-2)12-8-13(20-17-12)14(19)18-7-6-15(3,9-16)10-18/h8,11H,4-7,9-10,16H2,1-3H3
InChIKeyNALMPBKMVAOKAL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.39
Rot. Bonds5

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone (PubChem CID 120803741) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
PubChem CID120803741
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
SMILESCCC(CC)c1cc(C(=O)N2CCC(C)(CN)C2)on1
InChIInChI=1S/C15H25N3O2/c1-4-11(5-2)12-8-13(20-17-12)14(19)18-7-6-15(3,9-16)10-18/h8,11H,4-7,9-10,16H2,1-3H3
InChIKeyNALMPBKMVAOKAL-UHFFFAOYSA-N
XLogP2.39
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 120804819
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride
CID 120806988
N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119565191
N-(2-aminoethyl)-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119479616
[2-(aminomethyl)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
CID 119466515
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 120805659
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120804378
(3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95776593
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124611332
1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]propan-1-one
CID 120807183
2-[methyl-[[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)morpholin-2-yl]methyl]amino]acetic acid
CID 128974742
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 120805641

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone (CID 120803741) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone is CCC(CC)c1cc(C(=O)N2CCC(C)(CN)C2)on1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is NALMPBKMVAOKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-11(5-2)12-8-13(20-17-12)14(19)18-7-6-15(3,9-16)10-18/h8,11H,4-7,9-10,16H2,1-3H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 279.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 120803741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).