N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C14H21N3O3 — CID 17254532

IUPACN-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1noc2c1CCCC2
InChIInChI=1S/C14H21N3O3/c18-14(15-5-6-17-7-9-19-10-8-17)13-11-3-1-2-4-12(11)20-16-13/h1-10H2,(H,15,18)
InChIKeyXBSONHPXOXCTNG-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.62
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 17254532) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID17254532
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1noc2c1CCCC2
InChIInChI=1S/C14H21N3O3/c18-14(15-5-6-17-7-9-19-10-8-17)13-11-3-1-2-4-12(11)20-16-13/h1-10H2,(H,15,18)
InChIKeyXBSONHPXOXCTNG-UHFFFAOYSA-N
XLogP0.62
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 17254532) is N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NCCN1CCOCC1)c1noc2c1CCCC2.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is XBSONHPXOXCTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-14(15-5-6-17-7-9-19-10-8-17)13-11-3-1-2-4-12(11)20-16-13/h1-10H2,(H,15,18).
What are the key properties of N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 17254532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).