[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone

C12H15N5O2 — CID 95722539

IUPAC[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESCc1noc(C)c1[C@@H]1CCCN1C(=O)c1cn[nH]n1
InChIInChI=1S/C12H15N5O2/c1-7-11(8(2)19-15-7)10-4-3-5-17(10)12(18)9-6-13-16-14-9/h6,10H,3-5H2,1-2H3,(H,13,14,16)/t10-/m0/s1
InChIKeyNOZIBRMIBCCSRH-JTQLQIEISA-N
MW261.28 g/mol
LogP1.39
Rot. Bonds2

About [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone

[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 95722539) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID95722539
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESCc1noc(C)c1[C@@H]1CCCN1C(=O)c1cn[nH]n1
InChIInChI=1S/C12H15N5O2/c1-7-11(8(2)19-15-7)10-4-3-5-17(10)12(18)9-6-13-16-14-9/h6,10H,3-5H2,1-2H3,(H,13,14,16)/t10-/m0/s1
InChIKeyNOZIBRMIBCCSRH-JTQLQIEISA-N
XLogP1.39
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 50809277
6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95222314
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893531
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 97152845
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 95052032
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 53017150
N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 56907734
(2,6-dimethoxyphenyl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893574
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 53009589
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone
CID 95463482
[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone
CID 95463485
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893519

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone (CID 95722539) is [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone is Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cn[nH]n1.
What is the InChIKey of [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is NOZIBRMIBCCSRH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-11(8(2)19-15-7)10-4-3-5-17(10)12(18)9-6-13-16-14-9/h6,10H,3-5H2,1-2H3,(H,13,14,16)/t10-/m0/s1.
What are the key properties of [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 261.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 95722539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).