(3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane

C17H25N3O3 — CID 58183798

IUPAC(3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane
SMILESCOc1ccc(COCC2OC(C)C(N=[N+]=[N-])[C@@H](C)[C@H]2C)cc1
InChIInChI=1S/C17H25N3O3/c1-11-12(2)17(19-20-18)13(3)23-16(11)10-22-9-14-5-7-15(21-4)8-6-14/h5-8,11-13,16-17H,9-10H2,1-4H3/t11-,12+,13?,16?,17?/m1/s1
InChIKeyNMOKKBZNVKULNQ-JIOPHJCTSA-N
MW319.41 g/mol
LogP3.95
Rot. Bonds6

About (3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane

(3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane (PubChem CID 58183798) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane.

Molecular Properties

Compound Name(3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane
PubChem CID58183798
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane
SMILESCOc1ccc(COCC2OC(C)C(N=[N+]=[N-])[C@@H](C)[C@H]2C)cc1
InChIInChI=1S/C17H25N3O3/c1-11-12(2)17(19-20-18)13(3)23-16(11)10-22-9-14-5-7-15(21-4)8-6-14/h5-8,11-13,16-17H,9-10H2,1-4H3/t11-,12+,13?,16?,17?/m1/s1
InChIKeyNMOKKBZNVKULNQ-JIOPHJCTSA-N
XLogP3.95
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5S)-3-azido-5-[(4-methoxyphenyl)methoxy]-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 159428449
(3R,4R,5S,6R)-3-azido-4,5-bis[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-ol
CID 91184934
(4R,5R)-3-azido-4,5-dimethoxy-2-methyl-6-(naphthalen-2-ylmethoxymethyl)oxane
CID 58678969
(2R,3S,4S,5R)-4-azido-5,6-dimethoxy-2-[(4-methoxyphenyl)methoxymethyl]oxan-3-ol
CID 56632277
methyl (3S,4S,6R)-3-[(2S,4S,5S)-3-azido-6-(benzoyloxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(3S,4R)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-4,6-dimethyloxan-3-yl]oxy-4-methyl-5-phenylmethoxyoxane-2-carboxylate
CID 160508592
(3S,4S,6S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4-dimethyl-6-methylsulfanyloxane;2,2,2-trifluoro-N-[(4S,5S)-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]acetamide
CID 123168942
[(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol
CID 102300419
(2S,3R,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]-5-methyloxolane
CID 59994424
[(2R,4R,5R,6S)-3-azido-5-[(2S,4S,5S)-4,5-dimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4-[(4-methoxyphenyl)methoxy]-6-methyloxan-2-yl]oxy-(2,3-dimethylbutan-2-yl)-dimethylsilane
CID 160542952
(3S,6S)-5-azido-4-butoxy-6-methoxy-2-[(4-methoxyphenyl)methoxymethyl]oxan-3-ol
CID 173486879
(2S,3S,4S,5R,6R)-2-azido-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxane
CID 71613692
4-azido-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 3720438

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane?
The IUPAC name of (3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane (CID 58183798) is (3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane.
What is the SMILES notation for (3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane?
The canonical SMILES for (3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane is COc1ccc(COCC2OC(C)C(N=[N+]=[N-])[C@@H](C)[C@H]2C)cc1.
What is the InChIKey of (3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane?
The InChIKey is NMOKKBZNVKULNQ-JIOPHJCTSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11-12(2)17(19-20-18)13(3)23-16(11)10-22-9-14-5-7-15(21-4)8-6-14/h5-8,11-13,16-17H,9-10H2,1-4H3/t11-,12+,13?,16?,17?/m1/s1.
What are the key properties of (3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane?
(3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane has a molecular weight of 319.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-5-azido-2-[(4-methoxyphenyl)methoxymethyl]-3,4,6-trimethyloxane is sourced from PubChem (CID 58183798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).