[5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol

C10H15NO2S — CID 115028422

IUPAC[5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol
SMILESCc1oc(CO)nc1C1CCSCC1
InChIInChI=1S/C10H15NO2S/c1-7-10(11-9(6-12)13-7)8-2-4-14-5-3-8/h8,12H,2-6H2,1H3
InChIKeyCEYRMFAXRSIHPS-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.09
Rot. Bonds2

About [5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol

[5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol (PubChem CID 115028422) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is [5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol
PubChem CID115028422
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name[5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol
SMILESCc1oc(CO)nc1C1CCSCC1
InChIInChI=1S/C10H15NO2S/c1-7-10(11-9(6-12)13-7)8-2-4-14-5-3-8/h8,12H,2-6H2,1H3
InChIKeyCEYRMFAXRSIHPS-UHFFFAOYSA-N
XLogP2.09
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol
CID 115021752
(5-methyl-4-piperidin-4-yl-1,3-oxazol-2-yl)methanol
CID 115020647
[5-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-yl]methanol
CID 115020651
3-[5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]propanoic acid
CID 115044337
2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanol
CID 115027359
3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol
CID 115042702
[2-(thian-4-yl)-1,3-oxazol-4-yl]methanol
CID 115082133
4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid
CID 105433312
[3-(thian-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 115079916
2-bromo-5-methyl-4-(thian-3-yl)-1,3-oxazole
CID 115048958
2-(5-methyl-4-piperidin-2-yl-1,3-oxazol-2-yl)ethanol
CID 115026947
2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 115026955

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol?
The IUPAC name of [5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol (CID 115028422) is [5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol?
The canonical SMILES for [5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol is Cc1oc(CO)nc1C1CCSCC1.
What is the InChIKey of [5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol?
The InChIKey is CEYRMFAXRSIHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-10(11-9(6-12)13-7)8-2-4-14-5-3-8/h8,12H,2-6H2,1H3.
What are the key properties of [5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol?
[5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol has a molecular weight of 213.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol is sourced from PubChem (CID 115028422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).