(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide

C16H17N7O2 — CID 94146473

IUPAC(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide
SMILESCc1cc([C@H]2CCCN2C(=O)Nc2ccc(-n3cncn3)nc2)on1
InChIInChI=1S/C16H17N7O2/c1-11-7-14(25-21-11)13-3-2-6-22(13)16(24)20-12-4-5-15(18-8-12)23-10-17-9-19-23/h4-5,7-10,13H,2-3,6H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeyRGPZLHKGWIVRIG-CYBMUJFWSA-N
MW339.36 g/mol
LogP2.33
Rot. Bonds3

About (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide

(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 94146473) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide
PubChem CID94146473
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide
SMILESCc1cc([C@H]2CCCN2C(=O)Nc2ccc(-n3cncn3)nc2)on1
InChIInChI=1S/C16H17N7O2/c1-11-7-14(25-21-11)13-3-2-6-22(13)16(24)20-12-4-5-15(18-8-12)23-10-17-9-19-23/h4-5,7-10,13H,2-3,6H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeyRGPZLHKGWIVRIG-CYBMUJFWSA-N
XLogP2.33
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(3-chloro-4-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139024
(4aS,8aR)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
CID 95126743
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070340
N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 50947725
N-(1-ethylpyrazol-4-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 75461427
N-(5-cyclopropyl-2-pyridinyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 136564263
(2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 126437438
(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94138869
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 118793979
(2S)-N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139767
(2R)-2-(3-ethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95079867
(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 94115894

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide (CID 94146473) is (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide is Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(-n3cncn3)nc2)on1.
What is the InChIKey of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide?
The InChIKey is RGPZLHKGWIVRIG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-11-7-14(25-21-11)13-3-2-6-22(13)16(24)20-12-4-5-15(18-8-12)23-10-17-9-19-23/h4-5,7-10,13H,2-3,6H2,1H3,(H,20,24)/t13-/m1/s1.
What are the key properties of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide?
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94146473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).