1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde

C10H12N4O2 — CID 62223686

IUPAC1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde
SMILESCC(C)c1nc(Cn2ccnc2C=O)no1
InChIInChI=1S/C10H12N4O2/c1-7(2)10-12-8(13-16-10)5-14-4-3-11-9(14)6-15/h3-4,6-7H,5H2,1-2H3
InChIKeyFFDYSCJHVGYQIQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.25
Rot. Bonds4

About 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde

1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde (PubChem CID 62223686) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde
PubChem CID62223686
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde
SMILESCC(C)c1nc(Cn2ccnc2C=O)no1
InChIInChI=1S/C10H12N4O2/c1-7(2)10-12-8(13-16-10)5-14-4-3-11-9(14)6-15/h3-4,6-7H,5H2,1-2H3
InChIKeyFFDYSCJHVGYQIQ-UHFFFAOYSA-N
XLogP1.25
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxypropyl)imidazole-2-carbaldehyde
CID 55267444
3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 116619906
1-(2-chlorophenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-one
CID 126835472
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405357
1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde
CID 62223868
7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 75470429
5-iodo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-one
CID 114553585
1-(2-chloroethyl)imidazole-2-carbaldehyde
CID 55267738
3-[(4-bromopyrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 55137788
2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid
CID 66434488
5-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
CID 61497406
[3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 130485451

Frequently Asked Questions

What is the IUPAC name of 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde?
The IUPAC name of 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde (CID 62223686) is 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde.
What is the SMILES notation for 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde?
The canonical SMILES for 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde is CC(C)c1nc(Cn2ccnc2C=O)no1.
What is the InChIKey of 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde?
The InChIKey is FFDYSCJHVGYQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7(2)10-12-8(13-16-10)5-14-4-3-11-9(14)6-15/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde?
1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde has a molecular weight of 220.23 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde is sourced from PubChem (CID 62223686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).