N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide

C21H23N3O4 — CID 134135268

IUPACN-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1nc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2)no1
InChIInChI=1S/C21H23N3O4/c1-13(2)26-17-9-11-19(12-10-17)27-18-7-5-16(6-8-18)20-23-21(28-24-20)14(3)22-15(4)25/h5-14H,1-4H3,(H,22,25)
InChIKeyOTIYFWUUDMWCPD-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.51
Rot. Bonds7

About N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide

N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide (PubChem CID 134135268) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
PubChem CID134135268
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1nc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2)no1
InChIInChI=1S/C21H23N3O4/c1-13(2)26-17-9-11-19(12-10-17)27-18-7-5-16(6-8-18)20-23-21(28-24-20)14(3)22-15(4)25/h5-14H,1-4H3,(H,22,25)
InChIKeyOTIYFWUUDMWCPD-UHFFFAOYSA-N
XLogP4.51
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-[4-(4-hexoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 134137111
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 92717337
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 51815176
methyl N-[1-[3-[4-(4-phenylmethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 155524299
tert-butyl N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 56770452
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 7449596
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635790
N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
CID 95788948
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449585
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 55137901
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 49179701

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide (CID 134135268) is N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1nc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2)no1.
What is the InChIKey of N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The InChIKey is OTIYFWUUDMWCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13(2)26-17-9-11-19(12-10-17)27-18-7-5-16(6-8-18)20-23-21(28-24-20)14(3)22-15(4)25/h5-14H,1-4H3,(H,22,25).
What are the key properties of N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 134135268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).