2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide

C12H16BrN3O4S — CID 106423889

IUPAC2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)NCc2ccno2)c(Br)o1
InChIInChI=1S/C12H16BrN3O4S/c1-8(2)14-6-10-5-11(12(13)19-10)21(17,18)16-7-9-3-4-15-20-9/h3-5,8,14,16H,6-7H2,1-2H3
InChIKeyMRWJQSWNBCCMQR-UHFFFAOYSA-N
MW378.25 g/mol
LogP2.01
Rot. Bonds7

About 2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide

2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (PubChem CID 106423889) has the molecular formula C12H16BrN3O4S and a molecular weight of 378.25 g/mol. Its IUPAC name is 2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
PubChem CID106423889
Molecular FormulaC12H16BrN3O4S
Molecular Weight378.25 g/mol
Exact Mass377.00
IUPAC Name2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)NCc2ccno2)c(Br)o1
InChIInChI=1S/C12H16BrN3O4S/c1-8(2)14-6-10-5-11(12(13)19-10)21(17,18)16-7-9-3-4-15-20-9/h3-5,8,14,16H,6-7H2,1-2H3
InChIKeyMRWJQSWNBCCMQR-UHFFFAOYSA-N
XLogP2.01
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide 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-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106423589
2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106027265
2-bromo-N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106063842
2-bromo-N-(4-methylpentyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106017116
N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106420018
N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106423820
2-bromo-N-(3-methylpentan-3-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106331726
2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031935
2-bromo-5-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424019
2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106055502
5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106424034
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (CID 106423889) is 2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is CC(C)NCc1cc(S(=O)(=O)NCc2ccno2)c(Br)o1.
What is the InChIKey of 2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The InChIKey is MRWJQSWNBCCMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O4S/c1-8(2)14-6-10-5-11(12(13)19-10)21(17,18)16-7-9-3-4-15-20-9/h3-5,8,14,16H,6-7H2,1-2H3.
What are the key properties of 2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide has a molecular weight of 378.25 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is sourced from PubChem (CID 106423889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).