N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine

C16H16N4O2S — CID 4047872

IUPACN-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
SMILESC(=NNc1nc2ccccc2o1)c1ccc(N2CCOCC2)s1
InChIInChI=1S/C16H16N4O2S/c1-2-4-14-13(3-1)18-16(22-14)19-17-11-12-5-6-15(23-12)20-7-9-21-10-8-20/h1-6,11H,7-10H2,(H,18,19)
InChIKeyIIWLJPLYARDFRS-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.17
Rot. Bonds4

About N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine

N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine (PubChem CID 4047872) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
PubChem CID4047872
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
SMILESC(=NNc1nc2ccccc2o1)c1ccc(N2CCOCC2)s1
InChIInChI=1S/C16H16N4O2S/c1-2-4-14-13(3-1)18-16(22-14)19-17-11-12-5-6-15(23-12)20-7-9-21-10-8-20/h1-6,11H,7-10H2,(H,18,19)
InChIKeyIIWLJPLYARDFRS-UHFFFAOYSA-N
XLogP3.17
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine (CID 4047872) is N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine is C(=NNc1nc2ccccc2o1)c1ccc(N2CCOCC2)s1.
What is the InChIKey of N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine?
The InChIKey is IIWLJPLYARDFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-2-4-14-13(3-1)18-16(22-14)19-17-11-12-5-6-15(23-12)20-7-9-21-10-8-20/h1-6,11H,7-10H2,(H,18,19).
What are the key properties of N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine?
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine has a molecular weight of 328.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 4047872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).