N-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide

C25H28N2O4 — CID 144608731

IUPACN-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCOc1cccc(-c2ccc(OCC3CC(c4cc([C@H](C)NC(C)=O)on4)C3)cc2)c1
InChIInChI=1S/C25H28N2O4/c1-16(26-17(2)28)25-14-24(27-31-25)21-11-18(12-21)15-30-22-9-7-19(8-10-22)20-5-4-6-23(13-20)29-3/h4-10,13-14,16,18,21H,11-12,15H2,1-3H3,(H,26,28)/t16-,18?,21?/m0/s1
InChIKeyCHEBFIADALFOJM-AFJQURTJSA-N
MW420.51 g/mol
LogP5.12
Rot. Bonds8

About N-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide

N-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide (PubChem CID 144608731) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide
PubChem CID144608731
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCOc1cccc(-c2ccc(OCC3CC(c4cc([C@H](C)NC(C)=O)on4)C3)cc2)c1
InChIInChI=1S/C25H28N2O4/c1-16(26-17(2)28)25-14-24(27-31-25)21-11-18(12-21)15-30-22-9-7-19(8-10-22)20-5-4-6-23(13-20)29-3/h4-10,13-14,16,18,21H,11-12,15H2,1-3H3,(H,26,28)/t16-,18?,21?/m0/s1
InChIKeyCHEBFIADALFOJM-AFJQURTJSA-N
XLogP5.12
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[4-(3-propan-2-yloxyphenyl)phenyl]ethyl]acetamide
CID 126448959
N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472862
2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide
CID 72874618
N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
CID 23648638
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
N-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetamide
CID 17427274
cis-(1R,2R)-2-[[4-(3-methoxy-5-propan-2-yloxyphenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386864
3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
CID 119817254
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
CID 83284781
ethane;methyl (2S)-3-[3-[[3-(2-methoxy-4-pyridinyl)cyclobutyl]methoxy]phenyl]-2-methylpropanoate
CID 144899366
N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215583

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide (CID 144608731) is N-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide is COc1cccc(-c2ccc(OCC3CC(c4cc([C@H](C)NC(C)=O)on4)C3)cc2)c1.
What is the InChIKey of N-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide?
The InChIKey is CHEBFIADALFOJM-AFJQURTJSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-16(26-17(2)28)25-14-24(27-31-25)21-11-18(12-21)15-30-22-9-7-19(8-10-22)20-5-4-6-23(13-20)29-3/h4-10,13-14,16,18,21H,11-12,15H2,1-3H3,(H,26,28)/t16-,18?,21?/m0/s1.
What are the key properties of N-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide?
N-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 144608731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).