ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole

C14H21NO — CID 143798288

IUPACethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCC.CC1=NO[C@H](Cc2ccccc2C)C1
InChIInChI=1S/C12H15NO.C2H6/c1-9-5-3-4-6-11(9)8-12-7-10(2)13-14-12;1-2/h3-6,12H,7-8H2,1-2H3;1-2H3/t12-;/m0./s1
InChIKeyULUGTWZEABMTHE-YDALLXLXSA-N
MW219.33 g/mol
LogP3.73
Rot. Bonds2

About ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole

ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 143798288) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Nameethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole
PubChem CID143798288
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nameethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCC.CC1=NO[C@H](Cc2ccccc2C)C1
InChIInChI=1S/C12H15NO.C2H6/c1-9-5-3-4-6-11(9)8-12-7-10(2)13-14-12;1-2/h3-6,12H,7-8H2,1-2H3;1-2H3/t12-;/m0./s1
InChIKeyULUGTWZEABMTHE-YDALLXLXSA-N
XLogP3.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole
CID 143838763
2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 95052078
(4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323786
1-methyl-2-[(2-methylcyclobutyl)methyl]benzene
CID 163743067
2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
CID 115061719
(5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562209
methanidyl-methyl-[(2-methylphenyl)methyl]azanium
CID 59280601
acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole
CID 143617767
(2S)-2-[(2-methylphenyl)methyl]pyrrolidin-1-ium
CID 7022791
ethane;(2-methylphenyl)methanethiol
CID 142152334
1-(2-methylphenyl)-N,N-bis(trimethylsilyl)methanamine
CID 13493569
2-[(2-methylphenyl)methyl]-1,3-oxazinane
CID 117226029

Frequently Asked Questions

What is the IUPAC name of ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole (CID 143798288) is ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole is CC.CC1=NO[C@H](Cc2ccccc2C)C1.
What is the InChIKey of ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is ULUGTWZEABMTHE-YDALLXLXSA-N. The full InChI is InChI=1S/C12H15NO.C2H6/c1-9-5-3-4-6-11(9)8-12-7-10(2)13-14-12;1-2/h3-6,12H,7-8H2,1-2H3;1-2H3/t12-;/m0./s1.
What are the key properties of ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 219.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 143798288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).