4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid

C16H19N3O5 — CID 119357622

IUPAC4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCOc1cccc(-c2nc(C(=O)NC(C)(C)CCC(=O)O)no2)c1
InChIInChI=1S/C16H19N3O5/c1-16(2,8-7-12(20)21)18-14(22)13-17-15(24-19-13)10-5-4-6-11(9-10)23-3/h4-6,9H,7-8H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyXLRNPEXPIFUDAX-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.12
Rot. Bonds7

About 4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid

4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 119357622) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid
PubChem CID119357622
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCOc1cccc(-c2nc(C(=O)NC(C)(C)CCC(=O)O)no2)c1
InChIInChI=1S/C16H19N3O5/c1-16(2,8-7-12(20)21)18-14(22)13-17-15(24-19-13)10-5-4-6-11(9-10)23-3/h4-6,9H,7-8H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyXLRNPEXPIFUDAX-UHFFFAOYSA-N
XLogP2.12
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2S)-2-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119361846
4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid
CID 62041534
4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 62042847
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
CID 83284781
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
N-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133778
(3S,4S)-1-[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950186
N-benzyl-2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032489
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079231

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid (CID 119357622) is 4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid is COc1cccc(-c2nc(C(=O)NC(C)(C)CCC(=O)O)no2)c1.
What is the InChIKey of 4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is XLRNPEXPIFUDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-16(2,8-7-12(20)21)18-14(22)13-17-15(24-19-13)10-5-4-6-11(9-10)23-3/h4-6,9H,7-8H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid?
4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 333.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-methoxyphenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119357622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).