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

C18H27N5O2 — CID 167937728

IUPAC(3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1Cc1cn(Cc2ncc(C3CCCCC3)o2)nn1
InChIInChI=1S/C18H27N5O2/c1-14-13-24-8-7-22(14)10-16-11-23(21-20-16)12-18-19-9-17(25-18)15-5-3-2-4-6-15/h9,11,14-15H,2-8,10,12-13H2,1H3/t14-/m1/s1
InChIKeyJEIIKYDDAIWQLU-CQSZACIVSA-N
MW345.45 g/mol
LogP2.58
Rot. Bonds5

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

(3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine (PubChem CID 167937728) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine
PubChem CID167937728
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1Cc1cn(Cc2ncc(C3CCCCC3)o2)nn1
InChIInChI=1S/C18H27N5O2/c1-14-13-24-8-7-22(14)10-16-11-23(21-20-16)12-18-19-9-17(25-18)15-5-3-2-4-6-15/h9,11,14-15H,2-8,10,12-13H2,1H3/t14-/m1/s1
InChIKeyJEIIKYDDAIWQLU-CQSZACIVSA-N
XLogP2.58
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-methyl-4-[[1-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]triazol-4-yl]methyl]morpholine
CID 139019631
(3R)-4-[[1-[(3-chloro-4-pyridinyl)methyl]triazol-4-yl]methyl]-3-methylmorpholine
CID 136585133
(3R)-4-[[1-(2-cyclohexyl-1-pyrimidin-2-ylethyl)triazol-4-yl]methyl]-3-methylmorpholine
CID 167986801
cis-(1R,2R)-2-[(3S)-4-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 129491643
N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62420823
5-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79772681
(3R)-3-methyl-4-[[1-[(1S)-1-pyridin-3-ylethyl]triazol-4-yl]methyl]morpholine
CID 138051960
(3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine
CID 154787561
(6S)-6,13-dimethyl-7-[[1-(2-methylsulfanylethyl)triazol-4-yl]methyl]-4-oxa-14-thia-7-azabicyclo[9.3.0]tetradeca-1(11),12-diene
CID 170138369
3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine
CID 103182041
(3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine
CID 34553713
N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine
CID 55093989

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine (CID 167937728) is (3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine is C[C@@H]1COCCN1Cc1cn(Cc2ncc(C3CCCCC3)o2)nn1.
What is the InChIKey of (3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine?
The InChIKey is JEIIKYDDAIWQLU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14-13-24-8-7-22(14)10-16-11-23(21-20-16)12-18-19-9-17(25-18)15-5-3-2-4-6-15/h9,11,14-15H,2-8,10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine?
(3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine has a molecular weight of 345.45 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[1-[(5-cyclohexyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-3-methylmorpholine is sourced from PubChem (CID 167937728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).