N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C16H20N4O3S — CID 91786003

IUPACN-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCc1csc(N2CCOCC2)n1)c1noc2c1CCCC2
InChIInChI=1S/C16H20N4O3S/c21-15(14-12-3-1-2-4-13(12)23-19-14)17-9-11-10-24-16(18-11)20-5-7-22-8-6-20/h10H,1-9H2,(H,17,21)
InChIKeyAIRRVAPMFPIWMO-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.78
Rot. Bonds4

About N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 91786003) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID91786003
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCc1csc(N2CCOCC2)n1)c1noc2c1CCCC2
InChIInChI=1S/C16H20N4O3S/c21-15(14-12-3-1-2-4-13(12)23-19-14)17-9-11-10-24-16(18-11)20-5-7-22-8-6-20/h10H,1-9H2,(H,17,21)
InChIKeyAIRRVAPMFPIWMO-UHFFFAOYSA-N
XLogP1.78
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 91786003) is N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NCc1csc(N2CCOCC2)n1)c1noc2c1CCCC2.
What is the InChIKey of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is AIRRVAPMFPIWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c21-15(14-12-3-1-2-4-13(12)23-19-14)17-9-11-10-24-16(18-11)20-5-7-22-8-6-20/h10H,1-9H2,(H,17,21).
What are the key properties of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 91786003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).