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

C16H25N5O2 — CID 139019631

IUPAC(3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine
SMILESCc1nc(C(C)C)oc1Cn1cc(CN2CCOC[C@H]2C)nn1
InChIInChI=1S/C16H25N5O2/c1-11(2)16-17-13(4)15(23-16)9-21-8-14(18-19-21)7-20-5-6-22-10-12(20)3/h8,11-12H,5-7,9-10H2,1-4H3/t12-/m1/s1
InChIKeyHHHDJBXSTQYQOF-GFCCVEGCSA-N
MW319.41 g/mol
LogP1.97
Rot. Bonds5

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

(3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine (PubChem CID 139019631) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine
PubChem CID139019631
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine
SMILESCc1nc(C(C)C)oc1Cn1cc(CN2CCOC[C@H]2C)nn1
InChIInChI=1S/C16H25N5O2/c1-11(2)16-17-13(4)15(23-16)9-21-8-14(18-19-21)7-20-5-6-22-10-12(20)3/h8,11-12H,5-7,9-10H2,1-4H3/t12-/m1/s1
InChIKeyHHHDJBXSTQYQOF-GFCCVEGCSA-N
XLogP1.97
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine (CID 139019631) is (3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine is Cc1nc(C(C)C)oc1Cn1cc(CN2CCOC[C@H]2C)nn1.
What is the InChIKey of (3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine?
The InChIKey is HHHDJBXSTQYQOF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(2)16-17-13(4)15(23-16)9-21-8-14(18-19-21)7-20-5-6-22-10-12(20)3/h8,11-12H,5-7,9-10H2,1-4H3/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine?
(3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine has a molecular weight of 319.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine is sourced from PubChem (CID 139019631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).