[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone

C18H23N5O2 — CID 94040955

IUPAC[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
SMILESCc1cc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(c3ncccn3)C2)no1
InChIInChI=1S/C18H23N5O2/c1-13-11-15(21-25-13)16-6-3-10-23(16)17(24)14-5-2-9-22(12-14)18-19-7-4-8-20-18/h4,7-8,11,14,16H,2-3,5-6,9-10,12H2,1H3/t14-,16+/m1/s1
InChIKeyMNHOAJCUISZRMT-ZBFHGGJFSA-N
MW341.41 g/mol
LogP2.35
Rot. Bonds3

About [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone

[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone (PubChem CID 94040955) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
PubChem CID94040955
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
SMILESCc1cc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(c3ncccn3)C2)no1
InChIInChI=1S/C18H23N5O2/c1-13-11-15(21-25-13)16-6-3-10-23(16)17(24)14-5-2-9-22(12-14)18-19-7-4-8-20-18/h4,7-8,11,14,16H,2-3,5-6,9-10,12H2,1H3/t14-,16+/m1/s1
InChIKeyMNHOAJCUISZRMT-ZBFHGGJFSA-N
XLogP2.35
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94616580
5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole
CID 39998429
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone
CID 95587198
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 98762961
[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 55575940
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 125122675
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 97277737
(3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 42952772
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94093448

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone?
The IUPAC name of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone (CID 94040955) is [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone is Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(c3ncccn3)C2)no1.
What is the InChIKey of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone?
The InChIKey is MNHOAJCUISZRMT-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-11-15(21-25-13)16-6-3-10-23(16)17(24)14-5-2-9-22(12-14)18-19-7-4-8-20-18/h4,7-8,11,14,16H,2-3,5-6,9-10,12H2,1H3/t14-,16+/m1/s1.
What are the key properties of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone?
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 94040955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).