N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C19H17N3O3S — CID 55456905

IUPACN-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCCCc1nc2ccccc2s1
InChIInChI=1S/C19H17N3O3S/c23-17(12-22-14-7-2-3-8-15(14)25-19(22)24)20-11-5-10-18-21-13-6-1-4-9-16(13)26-18/h1-4,6-9H,5,10-12H2,(H,20,23)
InChIKeyLVODABVFCCGVSV-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.95
Rot. Bonds6

About N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 55456905) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID55456905
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCCCc1nc2ccccc2s1
InChIInChI=1S/C19H17N3O3S/c23-17(12-22-14-7-2-3-8-15(14)25-19(22)24)20-11-5-10-18-21-13-6-1-4-9-16(13)26-18/h1-4,6-9H,5,10-12H2,(H,20,23)
InChIKeyLVODABVFCCGVSV-UHFFFAOYSA-N
XLogP2.95
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 38900942
N-[3-(1,2-oxazol-4-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91814413
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 78810816
3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-2-one
CID 9282371
N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31036968
N-[3-(1,3-benzothiazol-2-yl)propyl]-3-phenylbutanamide
CID 46432534
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 71901762
N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4244209
N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115620138

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 55456905) is N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)NCCCc1nc2ccccc2s1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is LVODABVFCCGVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-17(12-22-14-7-2-3-8-15(14)25-19(22)24)20-11-5-10-18-21-13-6-1-4-9-16(13)26-18/h1-4,6-9H,5,10-12H2,(H,20,23).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 55456905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).