5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole

C17H19N5O — CID 99929165

IUPAC5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole
SMILESCc1nc([C@@H]2CCCN2Cc2cc(-c3ccccc3)no2)n[nH]1
InChIInChI=1S/C17H19N5O/c1-12-18-17(20-19-12)16-8-5-9-22(16)11-14-10-15(21-23-14)13-6-3-2-4-7-13/h2-4,6-7,10,16H,5,8-9,11H2,1H3,(H,18,19,20)/t16-/m0/s1
InChIKeyMJYKOSHPPMMZAX-INIZCTEOSA-N
MW309.37 g/mol
LogP3.11
Rot. Bonds4

About 5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole

5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole (PubChem CID 99929165) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole
PubChem CID99929165
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole
SMILESCc1nc([C@@H]2CCCN2Cc2cc(-c3ccccc3)no2)n[nH]1
InChIInChI=1S/C17H19N5O/c1-12-18-17(20-19-12)16-8-5-9-22(16)11-14-10-15(21-23-14)13-6-3-2-4-7-13/h2-4,6-7,10,16H,5,8-9,11H2,1H3,(H,18,19,20)/t16-/m0/s1
InChIKeyMJYKOSHPPMMZAX-INIZCTEOSA-N
XLogP3.11
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
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3-[1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
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1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-2-carbaldehyde
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4-chloro-1-methyl-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]indazole
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5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
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5-propan-2-yl-3-[(2R)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
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3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole (CID 99929165) is 5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole is Cc1nc([C@@H]2CCCN2Cc2cc(-c3ccccc3)no2)n[nH]1.
What is the InChIKey of 5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole?
The InChIKey is MJYKOSHPPMMZAX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-18-17(20-19-12)16-8-5-9-22(16)11-14-10-15(21-23-14)13-6-3-2-4-7-13/h2-4,6-7,10,16H,5,8-9,11H2,1H3,(H,18,19,20)/t16-/m0/s1.
What are the key properties of 5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole?
5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole has a molecular weight of 309.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 99929165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).