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

C15H23N5O2 — CID 95978918

IUPAC(2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine
SMILESCc1nc(C)n(C[C@@H]2CN(Cc3nc(C)c(C)o3)CCO2)n1
InChIInChI=1S/C15H23N5O2/c1-10-11(2)22-15(16-10)9-19-5-6-21-14(7-19)8-20-13(4)17-12(3)18-20/h14H,5-9H2,1-4H3/t14-/m0/s1
InChIKeyMETFYDRTSDPZCC-AWEZNQCLSA-N
MW305.38 g/mol
LogP1.40
Rot. Bonds4

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

(2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine (PubChem CID 95978918) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine
PubChem CID95978918
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine
SMILESCc1nc(C)n(C[C@@H]2CN(Cc3nc(C)c(C)o3)CCO2)n1
InChIInChI=1S/C15H23N5O2/c1-10-11(2)22-15(16-10)9-19-5-6-21-14(7-19)8-20-13(4)17-12(3)18-20/h14H,5-9H2,1-4H3/t14-/m0/s1
InChIKeyMETFYDRTSDPZCC-AWEZNQCLSA-N
XLogP1.40
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine?
The IUPAC name of (2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine (CID 95978918) is (2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine.
What is the SMILES notation for (2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine?
The canonical SMILES for (2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine is Cc1nc(C)n(C[C@@H]2CN(Cc3nc(C)c(C)o3)CCO2)n1.
What is the InChIKey of (2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine?
The InChIKey is METFYDRTSDPZCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10-11(2)22-15(16-10)9-19-5-6-21-14(7-19)8-20-13(4)17-12(3)18-20/h14H,5-9H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine?
(2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine has a molecular weight of 305.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine is sourced from PubChem (CID 95978918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).