1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one

C14H16N2O3S — CID 3705975

IUPAC1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one
SMILESO=C(CCn1c(=S)oc2ccccc21)N1CCOCC1
InChIInChI=1S/C14H16N2O3S/c17-13(15-7-9-18-10-8-15)5-6-16-11-3-1-2-4-12(11)19-14(16)20/h1-4H,5-10H2
InChIKeyAPNXNUYQKJBPCC-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.21
Rot. Bonds3

About 1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one

1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one (PubChem CID 3705975) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one
PubChem CID3705975
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one
SMILESO=C(CCn1c(=S)oc2ccccc21)N1CCOCC1
InChIInChI=1S/C14H16N2O3S/c17-13(15-7-9-18-10-8-15)5-6-16-11-3-1-2-4-12(11)19-14(16)20/h1-4H,5-10H2
InChIKeyAPNXNUYQKJBPCC-UHFFFAOYSA-N
XLogP2.21
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one 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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
CID 3235668
3-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 3683349
N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
CID 4660213
N-cyclohexyl-N-methyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
CID 4133200
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 109015672
3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 55379515
3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanenitrile
CID 2223769
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
3-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxobutyl]-1,3-benzoxazol-2-one
CID 7964146
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
N-(pyridin-2-ylmethyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
CID 15996984
3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione
CID 4910902

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one (CID 3705975) is 1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one is O=C(CCn1c(=S)oc2ccccc21)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one?
The InChIKey is APNXNUYQKJBPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-13(15-7-9-18-10-8-15)5-6-16-11-3-1-2-4-12(11)19-14(16)20/h1-4H,5-10H2.
What are the key properties of 1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one?
1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one has a molecular weight of 292.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one is sourced from PubChem (CID 3705975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).