2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol

C14H17NO3S — CID 67845519

IUPAC2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol
SMILESCOc1ccc(SCc2nc(CCO)c(C)o2)cc1
InChIInChI=1S/C14H17NO3S/c1-10-13(7-8-16)15-14(18-10)9-19-12-5-3-11(17-2)4-6-12/h3-6,16H,7-9H2,1-2H3
InChIKeyCLPDZKIINHKYQN-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.82
Rot. Bonds6

About 2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol

2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol (PubChem CID 67845519) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol
PubChem CID67845519
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol
SMILESCOc1ccc(SCc2nc(CCO)c(C)o2)cc1
InChIInChI=1S/C14H17NO3S/c1-10-13(7-8-16)15-14(18-10)9-19-12-5-3-11(17-2)4-6-12/h3-6,16H,7-9H2,1-2H3
InChIKeyCLPDZKIINHKYQN-UHFFFAOYSA-N
XLogP2.82
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol (CID 67845519) is 2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol is COc1ccc(SCc2nc(CCO)c(C)o2)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol?
The InChIKey is CLPDZKIINHKYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-10-13(7-8-16)15-14(18-10)9-19-12-5-3-11(17-2)4-6-12/h3-6,16H,7-9H2,1-2H3.
What are the key properties of 2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol?
2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol has a molecular weight of 279.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 67845519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).