2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide

C14H19N3O4 — CID 164642475

IUPAC2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide
SMILESNC(=O)C[C@H]1COCCN1C(=O)c1onc2c1CCCC2
InChIInChI=1S/C14H19N3O4/c15-12(18)7-9-8-20-6-5-17(9)14(19)13-10-3-1-2-4-11(10)16-21-13/h9H,1-8H2,(H2,15,18)/t9-/m0/s1
InChIKeyPSTCDLWYYXBHCZ-VIFPVBQESA-N
MW293.32 g/mol
LogP0.27
Rot. Bonds3

About 2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide

2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide (PubChem CID 164642475) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide
PubChem CID164642475
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide
SMILESNC(=O)C[C@H]1COCCN1C(=O)c1onc2c1CCCC2
InChIInChI=1S/C14H19N3O4/c15-12(18)7-9-8-20-6-5-17(9)14(19)13-10-3-1-2-4-11(10)16-21-13/h9H,1-8H2,(H2,15,18)/t9-/m0/s1
InChIKeyPSTCDLWYYXBHCZ-VIFPVBQESA-N
XLogP0.27
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide (CID 164642475) is 2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide is NC(=O)C[C@H]1COCCN1C(=O)c1onc2c1CCCC2.
What is the InChIKey of 2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide?
The InChIKey is PSTCDLWYYXBHCZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19N3O4/c15-12(18)7-9-8-20-6-5-17(9)14(19)13-10-3-1-2-4-11(10)16-21-13/h9H,1-8H2,(H2,15,18)/t9-/m0/s1.
What are the key properties of 2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide?
2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide has a molecular weight of 293.32 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)morpholin-3-yl]acetamide is sourced from PubChem (CID 164642475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).