[(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol

C13H17NO3 — CID 910157

IUPAC[(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol
SMILESCOc1ccc(CC2=N[C@](C)(CO)CO2)cc1
InChIInChI=1S/C13H17NO3/c1-13(8-15)9-17-12(14-13)7-10-3-5-11(16-2)6-4-10/h3-6,15H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyFHTZBTIZHKDZIU-CYBMUJFWSA-N
MW235.28 g/mol
LogP1.42
Rot. Bonds4

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

[(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol (PubChem CID 910157) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol
PubChem CID910157
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol
SMILESCOc1ccc(CC2=N[C@](C)(CO)CO2)cc1
InChIInChI=1S/C13H17NO3/c1-13(8-15)9-17-12(14-13)7-10-3-5-11(16-2)6-4-10/h3-6,15H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyFHTZBTIZHKDZIU-CYBMUJFWSA-N
XLogP1.42
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4S)-4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-5H-1,3-oxazol-4-yl]methanol
CID 928291
2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 115061230
2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-5-ol
CID 115065955
[(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol
CID 53465513
4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
CID 3041214
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-thiazole
CID 3040933
(4-methoxyphenyl)methanol
CID 7738
[5-[(4-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol
CID 115093750
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-5-carboxylic acid
CID 115065977
3-[(4-methoxyphenyl)methyl]oxetan-3-ol
CID 83685421

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol?
The IUPAC name of [(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol (CID 910157) is [(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol is COc1ccc(CC2=N[C@](C)(CO)CO2)cc1.
What is the InChIKey of [(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol?
The InChIKey is FHTZBTIZHKDZIU-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(8-15)9-17-12(14-13)7-10-3-5-11(16-2)6-4-10/h3-6,15H,7-9H2,1-2H3/t13-/m1/s1.
What are the key properties of [(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol?
[(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol has a molecular weight of 235.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 910157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).