1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide

C15H17N3O3S2 — CID 99822737

IUPAC1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide
SMILESCC[C@@H](NS(=O)(=O)Cc1noc2ccccc12)c1nc(C)cs1
InChIInChI=1S/C15H17N3O3S2/c1-3-12(15-16-10(2)8-22-15)18-23(19,20)9-13-11-6-4-5-7-14(11)21-17-13/h4-8,12,18H,3,9H2,1-2H3/t12-/m1/s1
InChIKeyDFIWEOSEUZZWBC-GFCCVEGCSA-N
MW351.45 g/mol
LogP3.16
Rot. Bonds6

About 1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide (PubChem CID 99822737) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide
PubChem CID99822737
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide
SMILESCC[C@@H](NS(=O)(=O)Cc1noc2ccccc12)c1nc(C)cs1
InChIInChI=1S/C15H17N3O3S2/c1-3-12(15-16-10(2)8-22-15)18-23(19,20)9-13-11-6-4-5-7-14(11)21-17-13/h4-8,12,18H,3,9H2,1-2H3/t12-/m1/s1
InChIKeyDFIWEOSEUZZWBC-GFCCVEGCSA-N
XLogP3.16
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide with MolForge

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
1-(1,2-benzoxazol-3-yl)-N-butylmethanesulfonamide
CID 90624393
1-(1,2-benzoxazol-3-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide
CID 122264891
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide
CID 169084356
1,2-benzoxazol-3-ylmethylsulfonylurea
CID 12507017
1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide
CID 166330680
1-(1,2-benzoxazol-3-yl)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]methanesulfonamide
CID 97306575
1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide
CID 167944257
1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide
CID 99822647
1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 90624629
1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide
CID 90624669

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide (CID 99822737) is 1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide is CC[C@@H](NS(=O)(=O)Cc1noc2ccccc12)c1nc(C)cs1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide?
The InChIKey is DFIWEOSEUZZWBC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-3-12(15-16-10(2)8-22-15)18-23(19,20)9-13-11-6-4-5-7-14(11)21-17-13/h4-8,12,18H,3,9H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide has a molecular weight of 351.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]methanesulfonamide is sourced from PubChem (CID 99822737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).