3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole

C10H12N4O2 — CID 66155572

IUPAC3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(-c2n[nH]c(C3CC3)n2)no1
InChIInChI=1S/C10H12N4O2/c1-15-5-7-4-8(14-16-7)10-11-9(12-13-10)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyITOWXJZJLUJBAE-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.48
Rot. Bonds4

About 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole

3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole (PubChem CID 66155572) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole
PubChem CID66155572
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(-c2n[nH]c(C3CC3)n2)no1
InChIInChI=1S/C10H12N4O2/c1-15-5-7-4-8(14-16-7)10-11-9(12-13-10)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyITOWXJZJLUJBAE-UHFFFAOYSA-N
XLogP1.48
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
CID 66158539
5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
CID 66155370
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole
CID 155951530
O-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]hydroxylamine
CID 79427575
4-tert-butyl-3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1H-1,2,4-triazole-5-thione
CID 113300306
5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole
CID 102798273
5-(methoxymethyl)-3-(piperidin-4-ylmethoxymethyl)-1,2-oxazole
CID 66190537
5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole
CID 61336548
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole
CID 65198619
3-(5-bromo-2-methoxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 82489906
5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid
CID 66157603
5-(5-bromo-4-methylfuran-2-yl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 139019194

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole (CID 66155572) is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole is COCc1cc(-c2n[nH]c(C3CC3)n2)no1.
What is the InChIKey of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole?
The InChIKey is ITOWXJZJLUJBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-15-5-7-4-8(14-16-7)10-11-9(12-13-10)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,11,12,13).
What are the key properties of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole?
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole has a molecular weight of 220.23 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 66155572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).