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

C18H24N4O3 — CID 75498808

IUPAC[4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCC(c1nc2ccccc2o1)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H24N4O3/c1-14(17-19-15-4-2-3-5-16(15)25-17)20-6-8-21(9-7-20)18(23)22-10-12-24-13-11-22/h2-5,14H,6-13H2,1H3
InChIKeyGVWVDPFICNZUMJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.96
Rot. Bonds2

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

[4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 75498808) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is [4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID75498808
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name[4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCC(c1nc2ccccc2o1)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H24N4O3/c1-14(17-19-15-4-2-3-5-16(15)25-17)20-6-8-21(9-7-20)18(23)22-10-12-24-13-11-22/h2-5,14H,6-13H2,1H3
InChIKeyGVWVDPFICNZUMJ-UHFFFAOYSA-N
XLogP1.96
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 24632142
(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95592437
4-(morpholine-4-carbonyl)phenoxazin-3-one
CID 56620410
2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole
CID 139000191
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 110278820
(E)-3-(1,3-benzoxazol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)prop-2-enamide
CID 51083819
1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 126820172
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 3545151
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 110278979
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 56810173
1-(1,3-benzoxazol-2-yl)ethyl 3,4-dihydro-2H-pyran-5-carboxylate
CID 75484329
(E)-3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-methyl-3-morpholin-4-ylpropyl]prop-2-enamide
CID 95981089

Frequently Asked Questions

What is the IUPAC name of [4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 75498808) is [4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone is CC(c1nc2ccccc2o1)N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is GVWVDPFICNZUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14(17-19-15-4-2-3-5-16(15)25-17)20-6-8-21(9-7-20)18(23)22-10-12-24-13-11-22/h2-5,14H,6-13H2,1H3.
What are the key properties of [4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 344.42 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1,3-benzoxazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75498808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).