[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone

C16H23N5O3 — CID 129340040

IUPAC[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
SMILESCCC(CC)c1cc(C(=O)N2CCO[C@H](c3nncn3C)C2)on1
InChIInChI=1S/C16H23N5O3/c1-4-11(5-2)12-8-13(24-19-12)16(22)21-6-7-23-14(9-21)15-18-17-10-20(15)3/h8,10-11,14H,4-7,9H2,1-3H3/t14-/m0/s1
InChIKeyWTDGACHXRXZULO-AWEZNQCLSA-N
MW333.39 g/mol
LogP1.92
Rot. Bonds5

About [(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone

[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone (PubChem CID 129340040) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is [(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
PubChem CID129340040
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
SMILESCCC(CC)c1cc(C(=O)N2CCO[C@H](c3nncn3C)C2)on1
InChIInChI=1S/C16H23N5O3/c1-4-11(5-2)12-8-13(24-19-12)16(22)21-6-7-23-14(9-21)15-18-17-10-20(15)3/h8,10-11,14H,4-7,9H2,1-3H3/t14-/m0/s1
InChIKeyWTDGACHXRXZULO-AWEZNQCLSA-N
XLogP1.92
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone (CID 129340040) is [(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone is CCC(CC)c1cc(C(=O)N2CCO[C@H](c3nncn3C)C2)on1.
What is the InChIKey of [(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is WTDGACHXRXZULO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-4-11(5-2)12-8-13(24-19-12)16(22)21-6-7-23-14(9-21)15-18-17-10-20(15)3/h8,10-11,14H,4-7,9H2,1-3H3/t14-/m0/s1.
What are the key properties of [(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone?
[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 333.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 129340040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).