6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one

C21H21N5O2 — CID 146344656

IUPAC6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one
SMILESO=c1c2cccnc2ccn1CCN1CCN(c2noc3ccccc23)CC1
InChIInChI=1S/C21H21N5O2/c27-21-16-5-3-8-22-18(16)7-9-26(21)15-12-24-10-13-25(14-11-24)20-17-4-1-2-6-19(17)28-23-20/h1-9H,10-15H2
InChIKeyXPOJPOYXPMEMKQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.36
Rot. Bonds4

About 6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one

6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one (PubChem CID 146344656) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one
PubChem CID146344656
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one
SMILESO=c1c2cccnc2ccn1CCN1CCN(c2noc3ccccc23)CC1
InChIInChI=1S/C21H21N5O2/c27-21-16-5-3-8-22-18(16)7-9-26(21)15-12-24-10-13-25(14-11-24)20-17-4-1-2-6-19(17)28-23-20/h1-9H,10-15H2
InChIKeyXPOJPOYXPMEMKQ-UHFFFAOYSA-N
XLogP2.36
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-3-methyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 146344003
3-(4-methylpiperazin-1-yl)-1,2-benzoxazole
CID 21029567
3-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-1,3-thiazolidine-2,4-dione
CID 13232481
3-[4-(3-phenylbutyl)piperazin-1-yl]-1,2-benzoxazole
CID 70968716
2-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-1,3-thiazolidine-4,5-dione
CID 88718547
N-[3-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]propyl]-4-fluorobenzenesulfonamide
CID 66801542
6-(3-pyrazol-1-ylpropyl)-1,6-naphthyridin-5-one
CID 72935300
N-[3-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]propyl]-4-(trifluoromethyl)benzenesulfonamide
CID 66801027
6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one
CID 170960956
2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-1-ol
CID 146343515
3-[4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazin-1-yl]-1,2-benzoxazole
CID 11442128
3-[[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997360

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one?
The IUPAC name of 6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one (CID 146344656) is 6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one is O=c1c2cccnc2ccn1CCN1CCN(c2noc3ccccc23)CC1.
What is the InChIKey of 6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one?
The InChIKey is XPOJPOYXPMEMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-21-16-5-3-8-22-18(16)7-9-26(21)15-12-24-10-13-25(14-11-24)20-17-4-1-2-6-19(17)28-23-20/h1-9H,10-15H2.
What are the key properties of 6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one?
6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one has a molecular weight of 375.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 146344656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).