N-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H15N3O2S — CID 4971632

IUPACN-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NOC(C(=O)Nc2nc3ccccc3s2)C1
InChIInChI=1S/C14H15N3O2S/c1-8(2)10-7-11(19-17-10)13(18)16-14-15-9-5-3-4-6-12(9)20-14/h3-6,8,11H,7H2,1-2H3,(H,15,16,18)
InChIKeyUWIBPGFTYFYCSI-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.04
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 4971632) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID4971632
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NOC(C(=O)Nc2nc3ccccc3s2)C1
InChIInChI=1S/C14H15N3O2S/c1-8(2)10-7-11(19-17-10)13(18)16-14-15-9-5-3-4-6-12(9)20-14/h3-6,8,11H,7H2,1-2H3,(H,15,16,18)
InChIKeyUWIBPGFTYFYCSI-UHFFFAOYSA-N
XLogP3.04
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 4971632) is N-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)C1=NOC(C(=O)Nc2nc3ccccc3s2)C1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UWIBPGFTYFYCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-8(2)10-7-11(19-17-10)13(18)16-14-15-9-5-3-4-6-12(9)20-14/h3-6,8,11H,7H2,1-2H3,(H,15,16,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 4971632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).