5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole

C20H18ClN5O — CID 108776801

IUPAC5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole
SMILESCc1nc2ccccc2nc1N1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C20H18ClN5O/c1-13-19(23-16-5-3-2-4-15(16)22-13)25-8-10-26(11-9-25)20-24-17-12-14(21)6-7-18(17)27-20/h2-7,12H,8-11H2,1H3
InChIKeyZZNUTMLLFQTTLV-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.06
Rot. Bonds2

About 5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole

5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 108776801) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID108776801
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole
SMILESCc1nc2ccccc2nc1N1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C20H18ClN5O/c1-13-19(23-16-5-3-2-4-15(16)22-13)25-8-10-26(11-9-25)20-24-17-12-14(21)6-7-18(17)27-20/h2-7,12H,8-11H2,1H3
InChIKeyZZNUTMLLFQTTLV-UHFFFAOYSA-N
XLogP4.06
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
5-chloro-2-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole
CID 108775276
5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 171335686
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 166603296
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 101403141
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(1R,2R)-2-methylcyclopentyl]piperidine-4-carboxamide
CID 129373214
2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline
CID 133465607
ethyl 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46735169
(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 30510743
1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240
2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
CID 139027361

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole (CID 108776801) is 5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole is Cc1nc2ccccc2nc1N1CCN(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of 5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is ZZNUTMLLFQTTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-13-19(23-16-5-3-2-4-15(16)22-13)25-8-10-26(11-9-25)20-24-17-12-14(21)6-7-18(17)27-20/h2-7,12H,8-11H2,1H3.
What are the key properties of 5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole?
5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 379.85 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 108776801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).