(2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide

C21H22FN3O4 — CID 42278330

IUPAC(2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C21H22FN3O4/c1-4-17(28-18-8-6-5-7-16(18)22)21(26)23-20-19(24-29-25-20)14-9-11-15(12-10-14)27-13(2)3/h5-13,17H,4H2,1-3H3,(H,23,25,26)/t17-/m0/s1
InChIKeyIDBMLBXBZDVORV-KRWDZBQOSA-N
MW399.42 g/mol
LogP4.46
Rot. Bonds8

About (2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide

(2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide (PubChem CID 42278330) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
PubChem CID42278330
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name(2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C21H22FN3O4/c1-4-17(28-18-8-6-5-7-16(18)22)21(26)23-20-19(24-29-25-20)14-9-11-15(12-10-14)27-13(2)3/h5-13,17H,4H2,1-3H3,(H,23,25,26)/t17-/m0/s1
InChIKeyIDBMLBXBZDVORV-KRWDZBQOSA-N
XLogP4.46
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(2-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
CID 7677466
(2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide
CID 7708611
(2R)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 42278337
(2R)-2-(2-fluorophenoxy)-N-[4-(4-prop-2-enoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 42535712
(2S)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-fluorophenoxy)propanamide
CID 40965372
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-4-propan-2-yloxybenzamide
CID 17013908
2-(2-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014047
(2R)-2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 7677437
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 9181809
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 35129417
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide (CID 42278330) is (2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide is CC[C@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(OC(C)C)cc1.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
The InChIKey is IDBMLBXBZDVORV-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-4-17(28-18-8-6-5-7-16(18)22)21(26)23-20-19(24-29-25-20)14-9-11-15(12-10-14)27-13(2)3/h5-13,17H,4H2,1-3H3,(H,23,25,26)/t17-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide?
(2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide has a molecular weight of 399.42 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide is sourced from PubChem (CID 42278330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).