6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole

C18H20N4O2 — CID 66796479

IUPAC6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
SMILESCc1ccc2nc(N3CCNC[C@@H]3COc3cccnc3)oc2c1
InChIInChI=1S/C18H20N4O2/c1-13-4-5-16-17(9-13)24-18(21-16)22-8-7-20-10-14(22)12-23-15-3-2-6-19-11-15/h2-6,9,11,14,20H,7-8,10,12H2,1H3/t14-/m1/s1
InChIKeyPHXJCUKYONGLIY-CQSZACIVSA-N
MW324.38 g/mol
LogP2.39
Rot. Bonds4

About 6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole

6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 66796479) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID66796479
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
SMILESCc1ccc2nc(N3CCNC[C@@H]3COc3cccnc3)oc2c1
InChIInChI=1S/C18H20N4O2/c1-13-4-5-16-17(9-13)24-18(21-16)22-8-7-20-10-14(22)12-23-15-3-2-6-19-11-15/h2-6,9,11,14,20H,7-8,10,12H2,1H3/t14-/m1/s1
InChIKeyPHXJCUKYONGLIY-CQSZACIVSA-N
XLogP2.39
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride
CID 66797481
6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 66797247
2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 66797360
5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 59671539
N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide
CID 59671532
6,7-difluoro-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66796615
5-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66797139
6,7-difluoro-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
CID 66796614
2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole
CID 63553534
methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 59671484
6-bromo-4-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66797338
N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 59671498

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole (CID 66796479) is 6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole is Cc1ccc2nc(N3CCNC[C@@H]3COc3cccnc3)oc2c1.
What is the InChIKey of 6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is PHXJCUKYONGLIY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-4-5-16-17(9-13)24-18(21-16)22-8-7-20-10-14(22)12-23-15-3-2-6-19-11-15/h2-6,9,11,14,20H,7-8,10,12H2,1H3/t14-/m1/s1.
What are the key properties of 6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 324.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 66796479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).