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

C15H23N5O — CID 95292974

IUPAC4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1nc(C)n(C[C@@H]2CCCN2Cc2c(C)noc2C)n1
InChIInChI=1S/C15H23N5O/c1-10-15(11(2)21-18-10)9-19-7-5-6-14(19)8-20-13(4)16-12(3)17-20/h14H,5-9H2,1-4H3/t14-/m0/s1
InChIKeyUDQAYAGBZMZIFA-AWEZNQCLSA-N
MW289.38 g/mol
LogP2.16
Rot. Bonds4

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

4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 95292974) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID95292974
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1nc(C)n(C[C@@H]2CCCN2Cc2c(C)noc2C)n1
InChIInChI=1S/C15H23N5O/c1-10-15(11(2)21-18-10)9-19-7-5-6-14(19)8-20-13(4)16-12(3)17-20/h14H,5-9H2,1-4H3/t14-/m0/s1
InChIKeyUDQAYAGBZMZIFA-AWEZNQCLSA-N
XLogP2.16
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 95308402
(2S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 95336540
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916117
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926475
5-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 95305610
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95309298
(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-methylprop-2-enyl)piperidine
CID 95305553
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63847662
2-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-benzoxazole
CID 95978858
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95291830
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79544103
3,5-dimethyl-1-[[(2S)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95305451

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 95292974) is 4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1nc(C)n(C[C@@H]2CCCN2Cc2c(C)noc2C)n1.
What is the InChIKey of 4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is UDQAYAGBZMZIFA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10-15(11(2)21-18-10)9-19-7-5-6-14(19)8-20-13(4)16-12(3)17-20/h14H,5-9H2,1-4H3/t14-/m0/s1.
What are the key properties of 4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 289.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 95292974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).