2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one

C14H21N3O2 — CID 54873424

IUPAC2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cc(C2CCCN2C(=O)C(C)(N)C2CC2)on1
InChIInChI=1S/C14H21N3O2/c1-9-8-12(19-16-9)11-4-3-7-17(11)13(18)14(2,15)10-5-6-10/h8,10-11H,3-7,15H2,1-2H3
InChIKeyPFZVHTYWNVDYDH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.77
Rot. Bonds3

About 2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one

2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 54873424) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID54873424
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cc(C2CCCN2C(=O)C(C)(N)C2CC2)on1
InChIInChI=1S/C14H21N3O2/c1-9-8-12(19-16-9)11-4-3-7-17(11)13(18)14(2,15)10-5-6-10/h8,10-11H,3-7,15H2,1-2H3
InChIKeyPFZVHTYWNVDYDH-UHFFFAOYSA-N
XLogP1.77
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
(2R)-2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119112336
2-cyclopentyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 53017109
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108
2,3-dimethyl-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 76992612
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 127322889
ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 60976035
2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963154
(4-aminooxolan-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 66236852
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 92731941
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 127620950
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53013793

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one (CID 54873424) is 2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one is Cc1cc(C2CCCN2C(=O)C(C)(N)C2CC2)on1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is PFZVHTYWNVDYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-8-12(19-16-9)11-4-3-7-17(11)13(18)14(2,15)10-5-6-10/h8,10-11H,3-7,15H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one?
2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 263.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 54873424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).