5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole

C19H18N4O — CID 139511707

IUPAC5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole
SMILESCC(C)C(c1ccc2cc(-c3cnco3)ccc2c1)c1cn[nH]n1
InChIInChI=1S/C19H18N4O/c1-12(2)19(17-9-21-23-22-17)16-6-4-13-7-15(5-3-14(13)8-16)18-10-20-11-24-18/h3-12,19H,1-2H3,(H,21,22,23)
InChIKeyBFIUHNMZASIBMA-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.40
Rot. Bonds4

About 5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole

5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole (PubChem CID 139511707) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole
PubChem CID139511707
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole
SMILESCC(C)C(c1ccc2cc(-c3cnco3)ccc2c1)c1cn[nH]n1
InChIInChI=1S/C19H18N4O/c1-12(2)19(17-9-21-23-22-17)16-6-4-13-7-15(5-3-14(13)8-16)18-10-20-11-24-18/h3-12,19H,1-2H3,(H,21,22,23)
InChIKeyBFIUHNMZASIBMA-UHFFFAOYSA-N
XLogP4.40
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole
CID 69093181
5-(6-methoxynaphthalen-2-yl)-1,3-oxazole
CID 154354480
1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol
CID 138631243
1-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanethiol
CID 163427168
N-(3-methylbutan-2-yl)-4-(1,3-oxazol-5-yl)aniline
CID 54864396
4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine
CID 118864481
(1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine
CID 118880591
N-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline
CID 54865092
1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121256032
5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole
CID 121255861
N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
CID 118864210
N-[1-(4-bromophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943068

Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole?
The IUPAC name of 5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole (CID 139511707) is 5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole?
The canonical SMILES for 5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole is CC(C)C(c1ccc2cc(-c3cnco3)ccc2c1)c1cn[nH]n1.
What is the InChIKey of 5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole?
The InChIKey is BFIUHNMZASIBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12(2)19(17-9-21-23-22-17)16-6-4-13-7-15(5-3-14(13)8-16)18-10-20-11-24-18/h3-12,19H,1-2H3,(H,21,22,23).
What are the key properties of 5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole?
5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole has a molecular weight of 318.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole is sourced from PubChem (CID 139511707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).