3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one

C23H25NO3 — CID 148663961

IUPAC3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one
SMILESCC1(CCC(=O)c2cc(CCCc3ccc4ccccc4c3)on2)COC1
InChIInChI=1S/C23H25NO3/c1-23(15-26-16-23)12-11-22(25)21-14-20(27-24-21)8-4-5-17-9-10-18-6-2-3-7-19(18)13-17/h2-3,6-7,9-10,13-14H,4-5,8,11-12,15-16H2,1H3
InChIKeyNOIWNFWSRHBWGE-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.00
Rot. Bonds8

About 3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one

3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one (PubChem CID 148663961) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one
PubChem CID148663961
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one
SMILESCC1(CCC(=O)c2cc(CCCc3ccc4ccccc4c3)on2)COC1
InChIInChI=1S/C23H25NO3/c1-23(15-26-16-23)12-11-22(25)21-14-20(27-24-21)8-4-5-17-9-10-18-6-2-3-7-19(18)13-17/h2-3,6-7,9-10,13-14H,4-5,8,11-12,15-16H2,1H3
InChIKeyNOIWNFWSRHBWGE-UHFFFAOYSA-N
XLogP5.00
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide
CID 118536806
3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one
CID 147928312
1-[5-(naphthalen-2-ylmethylsulfanylmethyl)-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 161166609
ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326
10-naphthalen-2-yldecanoic acid
CID 21478009
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
N-methyl-4-naphthalen-2-ylbutanehydrazide
CID 116845183
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
3-(oxan-4-yl)-1-[5-(5-phenylpentoxymethyl)-1,2-oxazol-3-yl]propan-1-one
CID 162007047
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851524
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859760
(3-methyloxetan-3-yl)methyl 4-phenylbutanoate
CID 13123200

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one?
The IUPAC name of 3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one (CID 148663961) is 3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one.
What is the SMILES notation for 3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one?
The canonical SMILES for 3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one is CC1(CCC(=O)c2cc(CCCc3ccc4ccccc4c3)on2)COC1.
What is the InChIKey of 3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one?
The InChIKey is NOIWNFWSRHBWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-23(15-26-16-23)12-11-22(25)21-14-20(27-24-21)8-4-5-17-9-10-18-6-2-3-7-19(18)13-17/h2-3,6-7,9-10,13-14H,4-5,8,11-12,15-16H2,1H3.
What are the key properties of 3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one?
3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one has a molecular weight of 363.46 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyloxetan-3-yl)-1-[5-(3-naphthalen-2-ylpropyl)-1,2-oxazol-3-yl]propan-1-one is sourced from PubChem (CID 148663961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).