2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole

C9H13BrN2O — CID 115045484

IUPAC2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole
SMILESCc1oc(Br)nc1C1CCCN1C
InChIInChI=1S/C9H13BrN2O/c1-6-8(11-9(10)13-6)7-4-3-5-12(7)2/h7H,3-5H2,1-2H3
InChIKeyRRBGLNNQNRKRDB-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.51
Rot. Bonds1

About 2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole

2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole (PubChem CID 115045484) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole
PubChem CID115045484
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole
SMILESCc1oc(Br)nc1C1CCCN1C
InChIInChI=1S/C9H13BrN2O/c1-6-8(11-9(10)13-6)7-4-3-5-12(7)2/h7H,3-5H2,1-2H3
InChIKeyRRBGLNNQNRKRDB-UHFFFAOYSA-N
XLogP2.51
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methyl-4-(1-methylpiperidin-2-yl)-1,3-oxazole
CID 115048381
2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole
CID 115046254
2-bromo-6-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 124641952
2-chloro-5-ethyl-4-(1-methylpyrrolidin-2-yl)-1H-imidazole
CID 115028562
4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine
CID 115013289
5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine
CID 115077784
4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
CID 95817120
[5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine
CID 97297591
N-[5-[(2S)-1-methylpyrrolidin-2-yl]furan-2-yl]acetamide
CID 57261470
5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine
CID 45141024
4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
CID 129212326
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole?
The IUPAC name of 2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole (CID 115045484) is 2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole?
The canonical SMILES for 2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole is Cc1oc(Br)nc1C1CCCN1C.
What is the InChIKey of 2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole?
The InChIKey is RRBGLNNQNRKRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-6-8(11-9(10)13-6)7-4-3-5-12(7)2/h7H,3-5H2,1-2H3.
What are the key properties of 2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole?
2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole has a molecular weight of 245.12 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-4-(1-methylpyrrolidin-2-yl)-1,3-oxazole is sourced from PubChem (CID 115045484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).