3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one

C18H19N3O3 — CID 99928981

IUPAC3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCN1CCO[C@H](c2cccnc2)C1
InChIInChI=1S/C18H19N3O3/c22-18-21(15-5-1-2-6-16(15)24-18)9-8-20-10-11-23-17(13-20)14-4-3-7-19-12-14/h1-7,12,17H,8-11,13H2/t17-/m0/s1
InChIKeyFNPHPCSFYYKDRE-KRWDZBQOSA-N
MW325.37 g/mol
LogP2.06
Rot. Bonds4

About 3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one

3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one (PubChem CID 99928981) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
PubChem CID99928981
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCN1CCO[C@H](c2cccnc2)C1
InChIInChI=1S/C18H19N3O3/c22-18-21(15-5-1-2-6-16(15)24-18)9-8-20-10-11-23-17(13-20)14-4-3-7-19-12-14/h1-7,12,17H,8-11,13H2/t17-/m0/s1
InChIKeyFNPHPCSFYYKDRE-KRWDZBQOSA-N
XLogP2.06
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
CID 81497395
3-[2-oxo-2-[(2R)-2-pyridin-4-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
CID 124990788
3-[2-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]ethyl]-1,3-benzoxazol-2-one
CID 77094773
3-[5-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperazin-1-yl]pentyl]-1,3-benzoxazol-2-one
CID 58511876
3-[2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 94032087
3-[2-[(3aR,5R,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]ethyl]-1,3-benzoxazol-2-one
CID 77091507
3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 115969276
3-[2-(3-oxopiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 34182716
3-[2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 56705602
(4aS,8aS)-1-methyl-7-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 134706915
1-(2-morpholin-4-ylethyl)-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10037683
3-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 46579431

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one (CID 99928981) is 3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CCN1CCO[C@H](c2cccnc2)C1.
What is the InChIKey of 3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one?
The InChIKey is FNPHPCSFYYKDRE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-18-21(15-5-1-2-6-16(15)24-18)9-8-20-10-11-23-17(13-20)14-4-3-7-19-12-14/h1-7,12,17H,8-11,13H2/t17-/m0/s1.
What are the key properties of 3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one?
3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one has a molecular weight of 325.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 99928981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).