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

C7H10BrNO — CID 83814775

IUPAC4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole
SMILESCc1oc(C(C)C)nc1Br
InChIInChI=1S/C7H10BrNO/c1-4(2)7-9-6(8)5(3)10-7/h4H,1-3H3
InChIKeyXGQNYFQXTUQKEG-UHFFFAOYSA-N
MW204.07 g/mol
LogP2.87
Rot. Bonds1

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

4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole (PubChem CID 83814775) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole
PubChem CID83814775
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole
SMILESCc1oc(C(C)C)nc1Br
InChIInChI=1S/C7H10BrNO/c1-4(2)7-9-6(8)5(3)10-7/h4H,1-3H3
InChIKeyXGQNYFQXTUQKEG-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)propan-2-amine
CID 155042171
5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole
CID 45097413
2-bromo-5-methyl-4-propan-2-yl-1,3-oxazole
CID 105455893
5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
CID 130048276
4-bromo-5-methyl-1,3-oxazole-2-carboxylic acid
CID 130056638
5,11-di(propan-2-yl)-4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 70800007
4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
CID 58519669
7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine
CID 84702337
7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole
CID 82095523
5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 105462154
2,5-dimethyl-4-propan-2-yl-1,3-oxazole
CID 13111486
3-chloro-5-propan-2-yl-1,2,4-oxadiazole
CID 51000283

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole (CID 83814775) is 4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole is Cc1oc(C(C)C)nc1Br.
What is the InChIKey of 4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole?
The InChIKey is XGQNYFQXTUQKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-4(2)7-9-6(8)5(3)10-7/h4H,1-3H3.
What are the key properties of 4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole?
4-bromo-5-methyl-2-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 4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 83814775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).