5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole

C9H13N3O — CID 135173081

IUPAC5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(c2cnc(C)n2C)C1
InChIInChI=1S/C9H13N3O/c1-6-4-9(13-11-6)8-5-10-7(2)12(8)3/h5,9H,4H2,1-3H3
InChIKeyKXVVZVPEAYHVIP-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.57
Rot. Bonds1

About 5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole

5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 135173081) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID135173081
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(c2cnc(C)n2C)C1
InChIInChI=1S/C9H13N3O/c1-6-4-9(13-11-6)8-5-10-7(2)12(8)3/h5,9H,4H2,1-3H3
InChIKeyKXVVZVPEAYHVIP-UHFFFAOYSA-N
XLogP1.57
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole
CID 90455407
N,3-dimethyl-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 134260897
(2,3-dimethylimidazol-4-yl)-trimethylsilane
CID 12847209
2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine
CID 118898234
5-(2-isocyanophenyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 58433161
(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 6420656
5-(diethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 13158003
(5S)-3-methyl-5-propyl-4,5-dihydro-1,2-oxazole
CID 58667247
5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium
CID 58618695
1-(2,3-dimethylimidazol-4-yl)-2-methylprop-2-en-1-one
CID 130518910
2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol
CID 117192761
[4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol
CID 166376389

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole (CID 135173081) is 5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NOC(c2cnc(C)n2C)C1.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is KXVVZVPEAYHVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-4-9(13-11-6)8-5-10-7(2)12(8)3/h5,9H,4H2,1-3H3.
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole?
5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 179.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 135173081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).