5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole

C7H9NO — CID 129256148

IUPAC5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole
SMILESC[C@@H]1C[C@H]1c1cnco1
InChIInChI=1S/C7H9NO/c1-5-2-6(5)7-3-8-4-9-7/h3-6H,2H2,1H3/t5-,6-/m1/s1
InChIKeyUBRBQMUDEXOHGZ-PHDIDXHHSA-N
MW123.15 g/mol
LogP1.80
Rot. Bonds1

About 5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole

5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole (PubChem CID 129256148) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole
PubChem CID129256148
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole
SMILESC[C@@H]1C[C@H]1c1cnco1
InChIInChI=1S/C7H9NO/c1-5-2-6(5)7-3-8-4-9-7/h3-6H,2H2,1H3/t5-,6-/m1/s1
InChIKeyUBRBQMUDEXOHGZ-PHDIDXHHSA-N
XLogP1.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Butyl-1,3-oxazole
CID 18000835
5-Butyl-2-ethyloxazole
CID 86003245
5-(1-Methylethyl)oxazole
CID 12214112
5-Cyclopropyl-1,3-oxazole
CID 14362064
5-Cyclohexyl-1,3-oxazole
CID 53808335
2-Bromo-5-cyclopropyl-1,3-oxazole
CID 115017424
5-Cyclobutyl-1,3-oxazole
CID 137698771
5-(Oxan-4-yl)-1,3-oxazole
CID 165797654
5-Pentyloxazole
CID 66692646
2-Mthyl-3-(oxazol-5-yl)propanoic acid
CID 82595525
2-Bromo-5-cyclobutyl-1,3-oxazole
CID 115022447
5-(3-Bromopropyl)-1,3-oxazole
CID 165643990

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole?
The IUPAC name of 5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole (CID 129256148) is 5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole.
What is the SMILES notation for 5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole?
The canonical SMILES for 5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole is C[C@@H]1C[C@H]1c1cnco1.
What is the InChIKey of 5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole?
The InChIKey is UBRBQMUDEXOHGZ-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-2-6(5)7-3-8-4-9-7/h3-6H,2H2,1H3/t5-,6-/m1/s1.
What are the key properties of 5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole?
5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole has a molecular weight of 123.15 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole is sourced from PubChem (CID 129256148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).