1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol

C19H20N4O2 — CID 138631243

IUPAC1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol
SMILESCC(C)C(O)(C1=CNNN1)c1ccc2cc(-c3cnco3)ccc2c1
InChIInChI=1S/C19H20N4O2/c1-12(2)19(24,18-10-21-23-22-18)16-6-5-13-7-15(4-3-14(13)8-16)17-9-20-11-25-17/h3-12,21-24H,1-2H3
InChIKeyGJSZIQSECOKPFW-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.79
Rot. Bonds4

About 1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol

1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol (PubChem CID 138631243) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol
PubChem CID138631243
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol
SMILESCC(C)C(O)(C1=CNNN1)c1ccc2cc(-c3cnco3)ccc2c1
InChIInChI=1S/C19H20N4O2/c1-12(2)19(24,18-10-21-23-22-18)16-6-5-13-7-15(4-3-14(13)8-16)17-9-20-11-25-17/h3-12,21-24H,1-2H3
InChIKeyGJSZIQSECOKPFW-UHFFFAOYSA-N
XLogP2.79
TPSA82.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-methoxynaphthalen-2-yl)-1,3-oxazole
CID 154354480
5-[6-[2-methyl-1-(2H-triazol-4-yl)propyl]naphthalen-2-yl]-1,3-oxazole
CID 139511707
5-[4-(4-fluorophenyl)phenyl]-1,3-oxazole;2-sulfanylpropanoic acid
CID 21408827
1-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanethiol
CID 163427168
5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole
CID 23433682
2-(4-methoxyphenyl)sulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 55991056
1-[4-(1,3-oxazol-5-yl)phenyl]ethanone
CID 22316930
2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid
CID 66174342
4-[4-(1,3-oxazol-5-yl)phenyl]phenol;2-sulfanylpropanoic acid
CID 21409103
1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
CID 69281314
4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine
CID 118864481
4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide
CID 138589596

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol?
The IUPAC name of 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) is 1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol is CC(C)C(O)(C1=CNNN1)c1ccc2cc(-c3cnco3)ccc2c1.
What is the InChIKey of 1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol?
The InChIKey is GJSZIQSECOKPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(2)19(24,18-10-21-23-22-18)16-6-5-13-7-15(4-3-14(13)8-16)17-9-20-11-25-17/h3-12,21-24H,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol?
1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol has a molecular weight of 336.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-triazol-4-yl)-2-methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 138631243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).