[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium

C17H18N3O3+ — CID 144623485

IUPAC[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium
SMILESCc1nccnc1-c1ccc([OH2+])cc1OCc1c(C)noc1C
InChIInChI=1S/C17H17N3O3/c1-10-15(12(3)23-20-10)9-22-16-8-13(21)4-5-14(16)17-11(2)18-6-7-19-17/h4-8,21H,9H2,1-3H3/p+1
InChIKeyOLRWBKADGLULHI-UHFFFAOYSA-O
MW312.35 g/mol
LogP3.07
Rot. Bonds4

About [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium

[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium (PubChem CID 144623485) has the molecular formula C17H18N3O3+ and a molecular weight of 312.35 g/mol. Its IUPAC name is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium.

Molecular Properties

Compound Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium
PubChem CID144623485
Molecular FormulaC17H18N3O3+
Molecular Weight312.35 g/mol
Exact Mass312.13
IUPAC Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium
SMILESCc1nccnc1-c1ccc([OH2+])cc1OCc1c(C)noc1C
InChIInChI=1S/C17H17N3O3/c1-10-15(12(3)23-20-10)9-22-16-8-13(21)4-5-14(16)17-11(2)18-6-7-19-17/h4-8,21H,9H2,1-3H3/p+1
InChIKeyOLRWBKADGLULHI-UHFFFAOYSA-O
XLogP3.07
TPSA83.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 71103207
4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 103988426
(Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
CID 97301415
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methylphenyl]ethanol
CID 43505265
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 60878120
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazine
CID 168530523
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]methanamine
CID 60879250
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanol
CID 28782952
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
CID 28825757
N-[[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 63044984
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-fluorobenzonitrile
CID 103792121
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone
CID 117052461

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium?
The IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium (CID 144623485) is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium.
What is the SMILES notation for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium?
The canonical SMILES for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium is Cc1nccnc1-c1ccc([OH2+])cc1OCc1c(C)noc1C.
What is the InChIKey of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium?
The InChIKey is OLRWBKADGLULHI-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17N3O3/c1-10-15(12(3)23-20-10)9-22-16-8-13(21)4-5-14(16)17-11(2)18-6-7-19-17/h4-8,21H,9H2,1-3H3/p+1.
What are the key properties of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium?
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium has a molecular weight of 312.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium is sourced from PubChem (CID 144623485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).