2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole

C11H13NOS — CID 14220961

IUPAC2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
SMILESCC1=NCC(CSc2ccccc2)O1
InChIInChI=1S/C11H13NOS/c1-9-12-7-10(13-9)8-14-11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3
InChIKeyVJDAIPHAYCKQDP-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.60
Rot. Bonds3

About 2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole

2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 14220961) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
PubChem CID14220961
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
SMILESCC1=NCC(CSc2ccccc2)O1
InChIInChI=1S/C11H13NOS/c1-9-12-7-10(13-9)8-14-11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3
InChIKeyVJDAIPHAYCKQDP-UHFFFAOYSA-N
XLogP2.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxazoline, 2-amino-5-phenylthiomethyl-
CID 218669
2-[[(E)-2-(benzenesulfonyl)ethenyl]sulfonylmethyl]-4,5-dihydro-1,3-oxazole
CID 46837730
(r,s)-2,5-Dimethyl-5-phenylsulfanylmethyl-4,5-dihydro-oxazole
CID 13835951
2-methyl-6-(phenylsulfanylmethyl)-5,6-dihydro-4H-1,3-oxazine
CID 13835953
N-butyl-N-{5-[(phenylsulfanyl)methyl]dihydro-furan-2(3h)-ylidene}amine
CID 129754915
(1-Ethoxy-2-phenylsulfanylethylidene)azanium
CID 135039457
5-[(4-Fluorophenyl)sulfanylmethyl]-2-heptyl-4,5-dihydro-1,3-oxazole
CID 177601902
2-Phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 19356306
(3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine
CID 58619475
2-(Benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazole
CID 86023684
[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;methylsulfanylbenzene
CID 141941395
2-ethyl-4-methyl-4-(phenylsulfanylmethyl)-5H-1,3-oxazole
CID 163754733

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole (CID 14220961) is 2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole is CC1=NCC(CSc2ccccc2)O1.
What is the InChIKey of 2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is VJDAIPHAYCKQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-9-12-7-10(13-9)8-14-11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3.
What are the key properties of 2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole?
2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 207.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14220961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).