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

C16H20N4O3 — CID 24632142

IUPAC[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C16H20N4O3/c21-16(20-9-11-22-12-10-20)19-7-5-18(6-8-19)15-17-13-3-1-2-4-14(13)23-15/h1-4H,5-12H2
InChIKeyQSHVOMDEUYNTEE-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.40
Rot. Bonds1

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

[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 24632142) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID24632142
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C16H20N4O3/c21-16(20-9-11-22-12-10-20)19-7-5-18(6-8-19)15-17-13-3-1-2-4-14(13)23-15/h1-4H,5-12H2
InChIKeyQSHVOMDEUYNTEE-UHFFFAOYSA-N
XLogP1.40
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 75498808
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 122081639
7,10-bis(1,3-benzoxazol-2-yl)-1-oxa-4,13-dithia-7,10-diazacyclopentadecane
CID 15321742
2-morpholin-4-yl-1,3-benzoxazol-6-ol
CID 146454135
1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 171357656
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzoxazole
CID 36581573
2,2-dimethylpropyl 4-(1,3-benzoxazol-2-yl)piperazine-1-carboxylate
CID 11992420
[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800579
[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 157012907
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 24632142) is [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is QSHVOMDEUYNTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-16(20-9-11-22-12-10-20)19-7-5-18(6-8-19)15-17-13-3-1-2-4-14(13)23-15/h1-4H,5-12H2.
What are the key properties of [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 316.36 g/mol, XLogP of 1.40, 1 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)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24632142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).