[(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine

C18H23N3O5 — CID 95197021

IUPAC[(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine
SMILESCOc1cc(-c2nc(CN3CCO[C@@H](CN)C3)c(C)o2)cc2c1OCO2
InChIInChI=1S/C18H23N3O5/c1-11-14(9-21-3-4-23-13(7-19)8-21)20-18(26-11)12-5-15(22-2)17-16(6-12)24-10-25-17/h5-6,13H,3-4,7-10,19H2,1-2H3/t13-/m0/s1
InChIKeyPJKRDKGXKDFFNY-ZDUSSCGKSA-N
MW361.40 g/mol
LogP1.55
Rot. Bonds5

About [(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine

[(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine (PubChem CID 95197021) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is [(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine
PubChem CID95197021
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name[(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine
SMILESCOc1cc(-c2nc(CN3CCO[C@@H](CN)C3)c(C)o2)cc2c1OCO2
InChIInChI=1S/C18H23N3O5/c1-11-14(9-21-3-4-23-13(7-19)8-21)20-18(26-11)12-5-15(22-2)17-16(6-12)24-10-25-17/h5-6,13H,3-4,7-10,19H2,1-2H3/t13-/m0/s1
InChIKeyPJKRDKGXKDFFNY-ZDUSSCGKSA-N
XLogP1.55
TPSA92.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
CID 95210615
(3S)-3-ethyl-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95197835
[4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 154888895
3-[(2S)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
CID 25304764
1-[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 31054643
[4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393408
(2R)-2-ethyl-4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 95550186
[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393343
2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol
CID 95394340
[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393440
(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95210795
2-[(2R)-4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol
CID 95202746

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine?
The IUPAC name of [(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine (CID 95197021) is [(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine is COc1cc(-c2nc(CN3CCO[C@@H](CN)C3)c(C)o2)cc2c1OCO2.
What is the InChIKey of [(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine?
The InChIKey is PJKRDKGXKDFFNY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-11-14(9-21-3-4-23-13(7-19)8-21)20-18(26-11)12-5-15(22-2)17-16(6-12)24-10-25-17/h5-6,13H,3-4,7-10,19H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine?
[(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine has a molecular weight of 361.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 95197021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).