2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide

C18H26N4O4 — CID 155875485

IUPAC2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide
SMILESO=C(CN1CCOCC1)NC1CCc2onc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C18H26N4O4/c23-16(12-21-7-9-25-10-8-21)19-13-3-4-15-14(11-13)17(20-26-15)18(24)22-5-1-2-6-22/h13H,1-12H2,(H,19,23)
InChIKeyOOSJIRXPHPXKEL-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.22
Rot. Bonds4

About 2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide

2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide (PubChem CID 155875485) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide
PubChem CID155875485
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide
SMILESO=C(CN1CCOCC1)NC1CCc2onc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C18H26N4O4/c23-16(12-21-7-9-25-10-8-21)19-13-3-4-15-14(11-13)17(20-26-15)18(24)22-5-1-2-6-22/h13H,1-12H2,(H,19,23)
InChIKeyOOSJIRXPHPXKEL-UHFFFAOYSA-N
XLogP0.22
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide
CID 155871943
2-fluoro-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
CID 155871322
N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzenesulfonamide
CID 155872967
2-(oxan-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide
CID 155871345
(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-pyrrolidin-1-ylmethanone
CID 17022431
1-morpholin-4-yl-3-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]propan-1-one
CID 28735827
3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
CID 155872072
N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide
CID 155870871
N-[1-[[(4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124942700
5-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 135397627
[(5S)-5-(2-morpholin-4-ylethylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 51633070
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylacetamide
CID 3069954

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide (CID 155875485) is 2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide is O=C(CN1CCOCC1)NC1CCc2onc(C(=O)N3CCCC3)c2C1.
What is the InChIKey of 2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide?
The InChIKey is OOSJIRXPHPXKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c23-16(12-21-7-9-25-10-8-21)19-13-3-4-15-14(11-13)17(20-26-15)18(24)22-5-1-2-6-22/h13H,1-12H2,(H,19,23).
What are the key properties of 2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide?
2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 155875485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).