1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one

C11H16ClN3O2 — CID 119409653

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one
SMILESCc1noc(Cl)c1CCC(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C11H16ClN3O2/c1-7-9(11(12)17-14-7)2-3-10(16)15-5-4-8(13)6-15/h8H,2-6,13H2,1H3/t8-/m1/s1
InChIKeyWRSAMLAYWJJVIM-MRVPVSSYSA-N
MW257.72 g/mol
LogP1.13
Rot. Bonds3

About 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one

1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one (PubChem CID 119409653) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one
PubChem CID119409653
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one
SMILESCc1noc(Cl)c1CCC(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C11H16ClN3O2/c1-7-9(11(12)17-14-7)2-3-10(16)15-5-4-8(13)6-15/h8H,2-6,13H2,1H3/t8-/m1/s1
InChIKeyWRSAMLAYWJJVIM-MRVPVSSYSA-N
XLogP1.13
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395228
N-(2-aminoethyl)-1-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]piperidine-3-carboxamide
CID 119479646
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one
CID 51127557
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758842
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
CID 95141971
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 121197474
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride
CID 120744149
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-1-one
CID 95590971
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one
CID 119411874
1-[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 97417122

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one (CID 119409653) is 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one is Cc1noc(Cl)c1CCC(=O)N1CC[C@@H](N)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one?
The InChIKey is WRSAMLAYWJJVIM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7-9(11(12)17-14-7)2-3-10(16)15-5-4-8(13)6-15/h8H,2-6,13H2,1H3/t8-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one?
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one has a molecular weight of 257.72 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one is sourced from PubChem (CID 119409653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).