[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol

C14H13N3O2S — CID 63846620

IUPAC[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCc1csc(Cc2noc(C(O)c3ccccc3)n2)n1
InChIInChI=1S/C14H13N3O2S/c1-9-8-20-12(15-9)7-11-16-14(19-17-11)13(18)10-5-3-2-4-6-10/h2-6,8,13,18H,7H2,1H3
InChIKeyRBTODVSHLUNXRF-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.51
Rot. Bonds4

About [3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol

[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol (PubChem CID 63846620) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is [3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
PubChem CID63846620
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCc1csc(Cc2noc(C(O)c3ccccc3)n2)n1
InChIInChI=1S/C14H13N3O2S/c1-9-8-20-12(15-9)7-11-16-14(19-17-11)13(18)10-5-3-2-4-6-10/h2-6,8,13,18H,7H2,1H3
InChIKeyRBTODVSHLUNXRF-UHFFFAOYSA-N
XLogP2.51
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898638
phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol
CID 63850614
5-(diethoxymethyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
CID 63771839
[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63844903
(1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900079
2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222711
2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62797202
(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol
CID 63851603
phenyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 63844917
5-[1-(azetidin-3-yl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
CID 116682512
[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846811
(4-methyl-1,3-thiazol-2-yl)-phenylmethanol
CID 55201426

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The IUPAC name of [3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol (CID 63846620) is [3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol is Cc1csc(Cc2noc(C(O)c3ccccc3)n2)n1.
What is the InChIKey of [3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The InChIKey is RBTODVSHLUNXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-9-8-20-12(15-9)7-11-16-14(19-17-11)13(18)10-5-3-2-4-6-10/h2-6,8,13,18H,7H2,1H3.
What are the key properties of [3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol?
[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol has a molecular weight of 287.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 63846620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).