2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole

C14H19NO — CID 159605678

IUPAC2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole
SMILESCCCCC1COC(Cc2ccccc2)=N1
InChIInChI=1S/C14H19NO/c1-2-3-9-13-11-16-14(15-13)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyMMAXZAOUSIKAHC-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.22
Rot. Bonds5

About 2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole

2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole (PubChem CID 159605678) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole
PubChem CID159605678
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole
SMILESCCCCC1COC(Cc2ccccc2)=N1
InChIInChI=1S/C14H19NO/c1-2-3-9-13-11-16-14(15-13)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyMMAXZAOUSIKAHC-UHFFFAOYSA-N
XLogP3.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
CID 139566761
3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine
CID 115061130
2-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)acetic acid
CID 115061146
(4S)-4-benzyl-2-[[3,5-bis[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 101074951
(4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine
CID 15939238
4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
CID 3041214
(4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole
CID 130474058
2-[2-[(3-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid
CID 115061150
2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole
CID 175140303
4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole
CID 19844013
2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine
CID 115061171
3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
CID 115061110

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole (CID 159605678) is 2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole is CCCCC1COC(Cc2ccccc2)=N1.
What is the InChIKey of 2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole?
The InChIKey is MMAXZAOUSIKAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-9-13-11-16-14(15-13)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3.
What are the key properties of 2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole?
2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole has a molecular weight of 217.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 159605678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).