[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone

C16H19N3O3 — CID 155800579

IUPAC[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(c2nc3ccccc3o2)CCO1)N1CCCC1
InChIInChI=1S/C16H19N3O3/c20-15(18-7-3-4-8-18)14-11-19(9-10-21-14)16-17-12-5-1-2-6-13(12)22-16/h1-2,5-6,14H,3-4,7-11H2
InChIKeyMTXOELFZMBTBIB-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.66
Rot. Bonds2

About [4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone

[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155800579) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID155800579
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(c2nc3ccccc3o2)CCO1)N1CCCC1
InChIInChI=1S/C16H19N3O3/c20-15(18-7-3-4-8-18)14-11-19(9-10-21-14)16-17-12-5-1-2-6-13(12)22-16/h1-2,5-6,14H,3-4,7-11H2
InChIKeyMTXOELFZMBTBIB-UHFFFAOYSA-N
XLogP1.66
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
[4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 154581086
(3S)-1-(1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
CID 51373554
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45178109
[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]methanamine
CID 61338953
(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119173598
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 24632142
[1-(1,3-benzoxazol-2-yl)-2-fluoro-4,5-dihydroimidazol-4-yl]-pyrrolidin-1-ylmethanone
CID 57234539
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 122081639
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165435396
pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
CID 155799944

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 155800579) is [4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is O=C(C1CN(c2nc3ccccc3o2)CCO1)N1CCCC1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MTXOELFZMBTBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-15(18-7-3-4-8-18)14-11-19(9-10-21-14)16-17-12-5-1-2-6-13(12)22-16/h1-2,5-6,14H,3-4,7-11H2.
What are the key properties of [4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 301.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155800579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).