N-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide

C19H25N3O4 — CID 91788142

IUPACN-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)CCCc1nc(-c2ccccc2C)no1
InChIInChI=1S/C19H25N3O4/c1-13-6-3-4-7-14(13)19-21-18(26-22-19)9-5-8-17(23)20-15-10-11-25-12-16(15)24-2/h3-4,6-7,15-16H,5,8-12H2,1-2H3,(H,20,23)/t15-,16-/m1/s1
InChIKeyMEAHPHWNAOCBBM-HZPDHXFCSA-N
MW359.43 g/mol
LogP2.29
Rot. Bonds7

About N-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide

N-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 91788142) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID91788142
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)CCCc1nc(-c2ccccc2C)no1
InChIInChI=1S/C19H25N3O4/c1-13-6-3-4-7-14(13)19-21-18(26-22-19)9-5-8-17(23)20-15-10-11-25-12-16(15)24-2/h3-4,6-7,15-16H,5,8-12H2,1-2H3,(H,20,23)/t15-,16-/m1/s1
InChIKeyMEAHPHWNAOCBBM-HZPDHXFCSA-N
XLogP2.29
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 72858551
N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 50984487
2-[(3S,4R)-4-[3-(2-methylphenyl)propanoylamino]oxan-3-yl]oxyacetic acid
CID 91784519
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 131911467
N-[(3aS,5R,6R,7aR)-6-methoxy-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172672165
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
CID 17101262
3-(2-methoxyphenyl)-5-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole
CID 97443372
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide
CID 73376599
N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46263739
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
N-(2-ethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758721
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 91788142) is N-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is CO[C@@H]1COCC[C@H]1NC(=O)CCCc1nc(-c2ccccc2C)no1.
What is the InChIKey of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is MEAHPHWNAOCBBM-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-6-3-4-7-14(13)19-21-18(26-22-19)9-5-8-17(23)20-15-10-11-25-12-16(15)24-2/h3-4,6-7,15-16H,5,8-12H2,1-2H3,(H,20,23)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 359.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-methoxyoxan-4-yl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 91788142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).