5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole

C16H18N2O2S — CID 175777797

IUPAC5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole
SMILESCc1nc(COCC2=NOC(Cc3ccccc3)C2)cs1
InChIInChI=1S/C16H18N2O2S/c1-12-17-15(11-21-12)10-19-9-14-8-16(20-18-14)7-13-5-3-2-4-6-13/h2-6,11,16H,7-10H2,1H3
InChIKeyQWQWOAZRCOTGQX-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.36
Rot. Bonds6

About 5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole

5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole (PubChem CID 175777797) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole
PubChem CID175777797
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole
SMILESCc1nc(COCC2=NOC(Cc3ccccc3)C2)cs1
InChIInChI=1S/C16H18N2O2S/c1-12-17-15(11-21-12)10-19-9-14-8-16(20-18-14)7-13-5-3-2-4-6-13/h2-6,11,16H,7-10H2,1H3
InChIKeyQWQWOAZRCOTGQX-UHFFFAOYSA-N
XLogP3.36
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3R,4R)-3-benzylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 124812608
N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 175777888
4-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol;hydrochloride
CID 44585587
3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
CID 14616477
4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol
CID 42613647
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
4-[[(3R,4S)-3-benzyl-1-(3-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 155874602
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95131670
(5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 132581718
4-[[(3R,4S)-3-benzyl-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 155874533
(3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 155990749
(5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 10589665

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole (CID 175777797) is 5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole is Cc1nc(COCC2=NOC(Cc3ccccc3)C2)cs1.
What is the InChIKey of 5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is QWQWOAZRCOTGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-17-15(11-21-12)10-19-9-14-8-16(20-18-14)7-13-5-3-2-4-6-13/h2-6,11,16H,7-10H2,1H3.
What are the key properties of 5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole?
5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 302.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 175777797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).