N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C18H22N4O3 — CID 120805537

IUPACN-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC1(CN)CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C18H22N4O3/c1-18(11-19)7-8-22(12-18)16(23)10-20-17(24)14-9-15(25-21-14)13-5-3-2-4-6-13/h2-6,9H,7-8,10-12,19H2,1H3,(H,20,24)
InChIKeyLGBCRDARKIKXSN-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.27
Rot. Bonds5

About N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 120805537) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID120805537
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC1(CN)CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C18H22N4O3/c1-18(11-19)7-8-22(12-18)16(23)10-20-17(24)14-9-15(25-21-14)13-5-3-2-4-6-13/h2-6,9H,7-8,10-12,19H2,1H3,(H,20,24)
InChIKeyLGBCRDARKIKXSN-UHFFFAOYSA-N
XLogP1.27
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120815735
N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56572319
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 120804819
N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86876644
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 120809401
N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 99790807
[3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967303
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
CID 120805630
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86902989
4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid
CID 119251838
N-[(4-hydroxythian-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 111486579

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 120805537) is N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is CC1(CN)CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)C1.
What is the InChIKey of N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is LGBCRDARKIKXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-18(11-19)7-8-22(12-18)16(23)10-20-17(24)14-9-15(25-21-14)13-5-3-2-4-6-13/h2-6,9H,7-8,10-12,19H2,1H3,(H,20,24).
What are the key properties of N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 120805537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).