(S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol

C25H24N2O3 — CID 101381699

IUPAC(S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol
SMILESCN(Cc1ccccc1)c1nc([C@@H](O)c2ccccc2OCc2ccccc2)co1
InChIInChI=1S/C25H24N2O3/c1-27(16-19-10-4-2-5-11-19)25-26-22(18-30-25)24(28)21-14-8-9-15-23(21)29-17-20-12-6-3-7-13-20/h2-15,18,24,28H,16-17H2,1H3/t24-/m0/s1
InChIKeyBJZUIKAJUCRWQO-DEOSSOPVSA-N
MW400.48 g/mol
LogP4.97
Rot. Bonds8

About (S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol

(S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol (PubChem CID 101381699) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol
PubChem CID101381699
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name(S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol
SMILESCN(Cc1ccccc1)c1nc([C@@H](O)c2ccccc2OCc2ccccc2)co1
InChIInChI=1S/C25H24N2O3/c1-27(16-19-10-4-2-5-11-19)25-26-22(18-30-25)24(28)21-14-8-9-15-23(21)29-17-20-12-6-3-7-13-20/h2-15,18,24,28H,16-17H2,1H3/t24-/m0/s1
InChIKeyBJZUIKAJUCRWQO-DEOSSOPVSA-N
XLogP4.97
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(5-methylfuran-2-yl)-(2-phenylmethoxyphenyl)methanol
CID 23906081
1-(2-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819028
4-hydroxy-2-oxo-4-(2-phenylmethoxyphenyl)butanoic acid
CID 46843530
(4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol
CID 67459729
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(2-hydroxy-3-phenylmethoxyphenyl)methanediol
CID 155107233
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324
propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate
CID 54420934
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002

Frequently Asked Questions

What is the IUPAC name of (S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol?
The IUPAC name of (S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol (CID 101381699) is (S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol.
What is the SMILES notation for (S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol?
The canonical SMILES for (S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol is CN(Cc1ccccc1)c1nc([C@@H](O)c2ccccc2OCc2ccccc2)co1.
What is the InChIKey of (S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol?
The InChIKey is BJZUIKAJUCRWQO-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-27(16-19-10-4-2-5-11-19)25-26-22(18-30-25)24(28)21-14-8-9-15-23(21)29-17-20-12-6-3-7-13-20/h2-15,18,24,28H,16-17H2,1H3/t24-/m0/s1.
What are the key properties of (S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol?
(S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol has a molecular weight of 400.48 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-[benzyl(methyl)amino]-1,3-oxazol-4-yl]-(2-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 101381699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).