2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol

C18H18FN3O2 — CID 132508354

IUPAC2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol
SMILESCc1nc2cc(F)c(N3CCN(c4ccccc4O)CC3)cc2o1
InChIInChI=1S/C18H18FN3O2/c1-12-20-14-10-13(19)16(11-18(14)24-12)22-8-6-21(7-9-22)15-4-2-3-5-17(15)23/h2-5,10-11,23H,6-9H2,1H3
InChIKeyNUESRSZAIWCOCZ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.31
Rot. Bonds2

About 2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol

2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol (PubChem CID 132508354) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol
PubChem CID132508354
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol
SMILESCc1nc2cc(F)c(N3CCN(c4ccccc4O)CC3)cc2o1
InChIInChI=1S/C18H18FN3O2/c1-12-20-14-10-13(19)16(11-18(14)24-12)22-8-6-21(7-9-22)15-4-2-3-5-17(15)23/h2-5,10-11,23H,6-9H2,1H3
InChIKeyNUESRSZAIWCOCZ-UHFFFAOYSA-N
XLogP3.31
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387959
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 101403141
5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine
CID 58834758
[4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110399497
1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 71048520
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 32825591
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 78802706
2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenol
CID 86993111
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 30633436
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 24981685
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387944

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol?
The IUPAC name of 2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol (CID 132508354) is 2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol is Cc1nc2cc(F)c(N3CCN(c4ccccc4O)CC3)cc2o1.
What is the InChIKey of 2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol?
The InChIKey is NUESRSZAIWCOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12-20-14-10-13(19)16(11-18(14)24-12)22-8-6-21(7-9-22)15-4-2-3-5-17(15)23/h2-5,10-11,23H,6-9H2,1H3.
What are the key properties of 2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol?
2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol has a molecular weight of 327.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 132508354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).