N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide

C18H22N4O3 — CID 155870871

IUPACN-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCc2onc(CN3CCOCC3)c2C1)c1ccccn1
InChIInChI=1S/C18H22N4O3/c23-18(15-3-1-2-6-19-15)20-13-4-5-17-14(11-13)16(21-25-17)12-22-7-9-24-10-8-22/h1-3,6,13H,4-5,7-12H2,(H,20,23)
InChIKeyCCVTUBAILJSCJP-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.19
Rot. Bonds4

About N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide

N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide (PubChem CID 155870871) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide
PubChem CID155870871
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCc2onc(CN3CCOCC3)c2C1)c1ccccn1
InChIInChI=1S/C18H22N4O3/c23-18(15-3-1-2-6-19-15)20-13-4-5-17-14(11-13)16(21-25-17)12-22-7-9-24-10-8-22/h1-3,6,13H,4-5,7-12H2,(H,20,23)
InChIKeyCCVTUBAILJSCJP-UHFFFAOYSA-N
XLogP1.19
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
CID 155872072
2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
CID 155871203
N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-3-carboxamide
CID 155875834
formic acid;5-methyl-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-3-carboxamide
CID 155871264
2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
CID 155871562
2-(oxan-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide
CID 155871345
N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide
CID 155872412
3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine
CID 155876049
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-4-fluorobenzamide
CID 155878118

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide (CID 155870871) is N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide is O=C(NC1CCc2onc(CN3CCOCC3)c2C1)c1ccccn1.
What is the InChIKey of N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide?
The InChIKey is CCVTUBAILJSCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-18(15-3-1-2-6-19-15)20-13-4-5-17-14(11-13)16(21-25-17)12-22-7-9-24-10-8-22/h1-3,6,13H,4-5,7-12H2,(H,20,23).
What are the key properties of N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide?
N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155870871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).