(2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide

C19H18FN3O4 — CID 35126571

IUPAC(2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
SMILESCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C
InChIInChI=1S/C19H18FN3O4/c1-11-10-13(4-9-16(11)25-3)17-18(23-27-22-17)21-19(24)12(2)26-15-7-5-14(20)6-8-15/h4-10,12H,1-3H3,(H,21,23,24)/t12-/m0/s1
InChIKeyVPDLPSCWMXVGLZ-LBPRGKRZSA-N
MW371.37 g/mol
LogP3.60
Rot. Bonds6

About (2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide

(2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide (PubChem CID 35126571) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
PubChem CID35126571
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
SMILESCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C
InChIInChI=1S/C19H18FN3O4/c1-11-10-13(4-9-16(11)25-3)17-18(23-27-22-17)21-19(24)12(2)26-15-7-5-14(20)6-8-15/h4-10,12H,1-3H3,(H,21,23,24)/t12-/m0/s1
InChIKeyVPDLPSCWMXVGLZ-LBPRGKRZSA-N
XLogP3.60
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 35129417
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
(2R)-2-(2-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 35126360
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide
CID 17014046
(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 34953133
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methoxyphenoxy)propanamide
CID 35129395
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide
CID 17014592
2-(3,5-dimethylphenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014594
(2R)-2-(2-fluorophenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 42278337
(2R)-2-(3,4-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 40871934
2-(2,3-dimethylphenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 43843037

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide (CID 35126571) is (2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide is COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
The InChIKey is VPDLPSCWMXVGLZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-11-10-13(4-9-16(11)25-3)17-18(23-27-22-17)21-19(24)12(2)26-15-7-5-14(20)6-8-15/h4-10,12H,1-3H3,(H,21,23,24)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
(2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide has a molecular weight of 371.37 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 35126571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).