2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole

C7H10BrNO — CID 105455893

IUPAC2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole
SMILESCc1oc(Br)nc1C(C)C
InChIInChI=1S/C7H10BrNO/c1-4(2)6-5(3)10-7(8)9-6/h4H,1-3H3
InChIKeyFCWSFBUOVIIBIJ-UHFFFAOYSA-N
MW204.07 g/mol
LogP2.87
Rot. Bonds1

About 2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole

2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole (PubChem CID 105455893) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole
PubChem CID105455893
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole
SMILESCc1oc(Br)nc1C(C)C
InChIInChI=1S/C7H10BrNO/c1-4(2)6-5(3)10-7(8)9-6/h4H,1-3H3
InChIKeyFCWSFBUOVIIBIJ-UHFFFAOYSA-N
XLogP2.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-4-propan-2-yl-1,3-oxazole
CID 13111486
5-methyl-4-propan-2-yl-1,3-oxazole-2-carbaldehyde
CID 105429873
4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole
CID 83814775
2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane
CID 162096671
(2-bromo-5-methyl-1,3-oxazol-4-yl)methanol
CID 84663687
5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole
CID 105462175
5-methyl-3-[(5-methyl-4-propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2,4-oxadiazole
CID 134183161
2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole
CID 105471905
2,5-dibromo-4-propan-2-yl-1,3-thiazole
CID 66521220
1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride
CID 155943307
4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine
CID 153456598
5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine
CID 24903878

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole (CID 105455893) is 2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole is Cc1oc(Br)nc1C(C)C.
What is the InChIKey of 2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole?
The InChIKey is FCWSFBUOVIIBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-4(2)6-5(3)10-7(8)9-6/h4H,1-3H3.
What are the key properties of 2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole?
2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole has a molecular weight of 204.07 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 105455893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).