5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole

C16H23NO2 — CID 10422777

IUPAC5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1=NOC(O[C@@H](CCC)c2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-3-8-14-12-16(19-17-14)18-15(9-4-2)13-10-6-5-7-11-13/h5-7,10-11,15-16H,3-4,8-9,12H2,1-2H3/t15-,16?/m0/s1
InChIKeyJIHADNHAJABZFY-VYRBHSGPSA-N
MW261.36 g/mol
LogP4.45
Rot. Bonds7

About 5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole

5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole (PubChem CID 10422777) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole
PubChem CID10422777
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1=NOC(O[C@@H](CCC)c2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-3-8-14-12-16(19-17-14)18-15(9-4-2)13-10-6-5-7-11-13/h5-7,10-11,15-16H,3-4,8-9,12H2,1-2H3/t15-,16?/m0/s1
InChIKeyJIHADNHAJABZFY-VYRBHSGPSA-N
XLogP4.45
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(1S)-1-phenylbutoxy]methyl]oxirane
CID 124508039
[(1R)-1-ethenoxybutyl]benzene
CID 11469385
1-pentoxybutylbenzene
CID 173061669
3-cyclopentyloxy-3-phenylpropan-1-amine
CID 115001323
3,4,5-trihydroxy-6-(1-phenylbutoxy)oxane-2-carboxylic acid
CID 163005394
3-cyclohexyloxy-3-phenylpropan-1-amine
CID 115002872
(E)-1-phenyl-N-[(1S)-1-phenylbutoxy]ethanimine
CID 10849449
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
1-(1-phenylbutoxy)propan-2-ol
CID 139655590
[(3aR,7aR)-2-[(1R)-1-phenylbutoxy]-2-sulfanylidene-3-(trimethylsilylmethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-1-yl]methyl-trimethylsilane
CID 23421755
[(3aR,7aR)-2-[(1S)-1-phenylbutoxy]-2-sulfanylidene-3-(trimethylsilylmethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-1-yl]methyl-trimethylsilane
CID 23421756
(2S)-2-phenyl-1-[(1S)-1-phenylbutoxy]-2,3,4,7-tetrahydroazepine
CID 11067216

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole (CID 10422777) is 5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole is CCCC1=NOC(O[C@@H](CCC)c2ccccc2)C1.
What is the InChIKey of 5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole?
The InChIKey is JIHADNHAJABZFY-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-8-14-12-16(19-17-14)18-15(9-4-2)13-10-6-5-7-11-13/h5-7,10-11,15-16H,3-4,8-9,12H2,1-2H3/t15-,16?/m0/s1.
What are the key properties of 5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole?
5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole has a molecular weight of 261.36 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-phenylbutoxy]-3-propyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 10422777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).