4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one

C22H16N2O3S — CID 90895727

IUPAC4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2ccc3oc(Cc4cccc5ccccc45)nc3c2)s1
InChIInChI=1S/C22H16N2O3S/c25-21-19(28-22(26)24-21)11-13-8-9-18-17(10-13)23-20(27-18)12-15-6-3-5-14-4-1-2-7-16(14)15/h1-10,25H,11-12H2,(H,24,26)
InChIKeyVOOBKOXBTOMKSK-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.62
Rot. Bonds4

About 4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 90895727) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one
PubChem CID90895727
Molecular FormulaC22H16N2O3S
Molecular Weight388.45 g/mol
Exact Mass388.09
IUPAC Name4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2ccc3oc(Cc4cccc5ccccc45)nc3c2)s1
InChIInChI=1S/C22H16N2O3S/c25-21-19(28-22(26)24-21)11-13-8-9-18-17(10-13)23-20(27-18)12-15-6-3-5-14-4-1-2-7-16(14)15/h1-10,25H,11-12H2,(H,24,26)
InChIKeyVOOBKOXBTOMKSK-UHFFFAOYSA-N
XLogP4.62
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 10810309
5-[[4-[2-[1,3-benzoxazol-2-yl(propan-2-yl)amino]ethoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54223202
4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934058
2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine
CID 79022482
5-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid
CID 90849167
1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
4-hydroxy-5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90835967
4-hydroxy-5-[[4-[(2S)-2-hydroxy-2-phenylethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 123370768
3-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-1-phenylpropan-1-one
CID 82357898
5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619454
2-(2-ethyl-1,3-benzoxazol-5-yl)acetate
CID 6986797
5-[[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 10498189

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one (CID 90895727) is 4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(Cc2ccc3oc(Cc4cccc5ccccc45)nc3c2)s1.
What is the InChIKey of 4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is VOOBKOXBTOMKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3S/c25-21-19(28-22(26)24-21)11-13-8-9-18-17(10-13)23-20(27-18)12-15-6-3-5-14-4-1-2-7-16(14)15/h1-10,25H,11-12H2,(H,24,26).
What are the key properties of 4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 388.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 90895727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).