4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide

C15H18N2O4S — CID 39397535

IUPAC4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide
SMILESO=C(CCCc1nc2ccccc2o1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O4S/c18-14(16-11-8-9-22(19,20)10-11)6-3-7-15-17-12-4-1-2-5-13(12)21-15/h1-2,4-5,11H,3,6-10H2,(H,16,18)/t11-/m1/s1
InChIKeyQFSJXSSJNTVKTG-LLVKDONJSA-N
MW322.39 g/mol
LogP1.45
Rot. Bonds5

About 4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide

4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide (PubChem CID 39397535) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide
PubChem CID39397535
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide
SMILESO=C(CCCc1nc2ccccc2o1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O4S/c18-14(16-11-8-9-22(19,20)10-11)6-3-7-15-17-12-4-1-2-5-13(12)21-15/h1-2,4-5,11H,3,6-10H2,(H,16,18)/t11-/m1/s1
InChIKeyQFSJXSSJNTVKTG-LLVKDONJSA-N
XLogP1.45
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide with MolForge

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide
CID 56812770
(E)-3-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]prop-2-enamide
CID 38833129
N-(1,1-dioxothiolan-3-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46453480
N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18137647
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 39754999
4-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)butanamide
CID 17426021
6-(1,3-benzoxazol-2-yl)hexanoic acid
CID 18979147
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate
CID 9064991
6-[(1,1-dioxothiolan-3-yl)amino]-6-oxohexanoic acid
CID 43529555
N-(1,1-dioxothiolan-3-yl)-3-(1-phenylethylamino)propanamide
CID 109020241
N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330731

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide (CID 39397535) is 4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide is O=C(CCCc1nc2ccccc2o1)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide?
The InChIKey is QFSJXSSJNTVKTG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O4S/c18-14(16-11-8-9-22(19,20)10-11)6-3-7-15-17-12-4-1-2-5-13(12)21-15/h1-2,4-5,11H,3,6-10H2,(H,16,18)/t11-/m1/s1.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide?
4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide has a molecular weight of 322.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide is sourced from PubChem (CID 39397535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).