N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

C15H20N4O4S — CID 90653842

IUPACN-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(=O)N1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C15H20N4O4S/c1-11(17-24(2,21)22)14(20)18-7-9-19(10-8-18)15-16-12-5-3-4-6-13(12)23-15/h3-6,11,17H,7-10H2,1-2H3
InChIKeyVZYSUGSQEFLBHK-UHFFFAOYSA-N
MW352.42 g/mol
LogP0.41
Rot. Bonds4

About N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 90653842) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
PubChem CID90653842
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC NameN-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(=O)N1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C15H20N4O4S/c1-11(17-24(2,21)22)14(20)18-7-9-19(10-8-18)15-16-12-5-3-4-6-13(12)23-15/h3-6,11,17H,7-10H2,1-2H3
InChIKeyVZYSUGSQEFLBHK-UHFFFAOYSA-N
XLogP0.41
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 24632142
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
2,2-dimethylpropyl 4-(1,3-benzoxazol-2-yl)piperazine-1-carboxylate
CID 11992420
(2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone
CID 166613008
1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
CID 134012022
[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 157012907
4-amino-1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120596631
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one
CID 46270779
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide
CID 33324562

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (CID 90653842) is N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is CC(NS(C)(=O)=O)C(=O)N1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is VZYSUGSQEFLBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-11(17-24(2,21)22)14(20)18-7-9-19(10-8-18)15-16-12-5-3-4-6-13(12)23-15/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 352.42 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 90653842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).