(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C12H17N5O2 — CID 42588585

IUPAC(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1nc(C)n(C[C@H](C)C(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C12H17N5O2/c1-7(6-17-10(4)13-9(3)15-17)12(18)14-11-5-8(2)19-16-11/h5,7H,6H2,1-4H3,(H,14,16,18)/t7-/m0/s1
InChIKeyCSVJSLAUOWBAIB-ZETCQYMHSA-N
MW263.30 g/mol
LogP1.47
Rot. Bonds4

About (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 42588585) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID42588585
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1nc(C)n(C[C@H](C)C(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C12H17N5O2/c1-7(6-17-10(4)13-9(3)15-17)12(18)14-11-5-8(2)19-16-11/h5,7H,6H2,1-4H3,(H,14,16,18)/t7-/m0/s1
InChIKeyCSVJSLAUOWBAIB-ZETCQYMHSA-N
XLogP1.47
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 42588574
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 40793189
(2S)-N-(3,5-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
CID 42588516
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 42588525
(2R)-N-(3,5-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
CID 42588518
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4866503
(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide
CID 39730547
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
(2R)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
CID 40793214
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanoic acid
CID 3162905
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
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 42588585) is (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1nc(C)n(C[C@H](C)C(=O)Nc2cc(C)on2)n1.
What is the InChIKey of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is CSVJSLAUOWBAIB-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7(6-17-10(4)13-9(3)15-17)12(18)14-11-5-8(2)19-16-11/h5,7H,6H2,1-4H3,(H,14,16,18)/t7-/m0/s1.
What are the key properties of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 263.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 42588585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).