N-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide

C22H20N2O3 — CID 164736974

IUPACN-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide
SMILESCCCc1noc2ccc3cc(Oc4cccc(NC(C)=O)c4)ccc3c12
InChIInChI=1S/C22H20N2O3/c1-3-5-20-22-19-10-9-18(12-15(19)8-11-21(22)27-24-20)26-17-7-4-6-16(13-17)23-14(2)25/h4,6-13H,3,5H2,1-2H3,(H,23,25)
InChIKeyUJGZPDCMHOQKBQ-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.68
Rot. Bonds5

About N-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide

N-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide (PubChem CID 164736974) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide
PubChem CID164736974
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide
SMILESCCCc1noc2ccc3cc(Oc4cccc(NC(C)=O)c4)ccc3c12
InChIInChI=1S/C22H20N2O3/c1-3-5-20-22-19-10-9-18(12-15(19)8-11-21(22)27-24-20)26-17-7-4-6-16(13-17)23-14(2)25/h4,6-13H,3,5H2,1-2H3,(H,23,25)
InChIKeyUJGZPDCMHOQKBQ-UHFFFAOYSA-N
XLogP5.68
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1,2]benzoxazol-7-yl]oxyphenyl]acetamide
CID 165036265
N-(3-naphthalen-2-yloxyphenyl)acetamide
CID 71156920
ethyl 2-[7-(2-methoxyethoxy)benzo[e][1,2]benzoxazol-1-yl]acetate
CID 167001179
ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate
CID 164736922
N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide
CID 166649115
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenoxyphenyl)propanamide
CID 52738993
N-[4-(3-acetamidophenoxy)but-2-ynyl]-4-propylthiadiazole-5-carboxamide
CID 90577411
naphthalen-2-yl 2-(3-acetamidophenoxy)acetate
CID 18870014
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-phenoxyphenyl)acetamide
CID 78794827
N-[3-[1-[2-(2-methyl-2-propylcyclopropyl)naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]acetamide
CID 144667134
4-[3-(propanoylamino)phenoxy]phthalic acid
CID 9320972

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide?
The IUPAC name of N-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide (CID 164736974) is N-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide is CCCc1noc2ccc3cc(Oc4cccc(NC(C)=O)c4)ccc3c12.
What is the InChIKey of N-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide?
The InChIKey is UJGZPDCMHOQKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-3-5-20-22-19-10-9-18(12-15(19)8-11-21(22)27-24-20)26-17-7-4-6-16(13-17)23-14(2)25/h4,6-13H,3,5H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide?
N-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide has a molecular weight of 360.41 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide is sourced from PubChem (CID 164736974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).