1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide

C8H11BrN2O3S — CID 167760060

IUPAC1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(Br)no1)NCC1CC1
InChIInChI=1S/C8H11BrN2O3S/c9-8-3-7(14-11-8)5-15(12,13)10-4-6-1-2-6/h3,6,10H,1-2,4-5H2
InChIKeyAAGRQYAYQHECCN-UHFFFAOYSA-N
MW295.16 g/mol
LogP1.27
Rot. Bonds5

About 1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide

1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide (PubChem CID 167760060) has the molecular formula C8H11BrN2O3S and a molecular weight of 295.16 g/mol. Its IUPAC name is 1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide
PubChem CID167760060
Molecular FormulaC8H11BrN2O3S
Molecular Weight295.16 g/mol
Exact Mass293.97
IUPAC Name1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(Br)no1)NCC1CC1
InChIInChI=1S/C8H11BrN2O3S/c9-8-3-7(14-11-8)5-15(12,13)10-4-6-1-2-6/h3,6,10H,1-2,4-5H2
InChIKeyAAGRQYAYQHECCN-UHFFFAOYSA-N
XLogP1.27
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide?
The IUPAC name of 1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide (CID 167760060) is 1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide?
The canonical SMILES for 1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide is O=S(=O)(Cc1cc(Br)no1)NCC1CC1.
What is the InChIKey of 1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide?
The InChIKey is AAGRQYAYQHECCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3S/c9-8-3-7(14-11-8)5-15(12,13)10-4-6-1-2-6/h3,6,10H,1-2,4-5H2.
What are the key properties of 1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide?
1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide has a molecular weight of 295.16 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1,2-oxazol-5-yl)-N-(cyclopropylmethyl)methanesulfonamide is sourced from PubChem (CID 167760060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).