(2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid

C18H23N3O5 — CID 119364476

IUPAC(2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid
SMILESCCc1nc(COc2ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc2)no1
InChIInChI=1S/C18H23N3O5/c1-4-16-20-15(21-26-16)10-25-13-7-5-12(6-8-13)17(22)19-14(18(23)24)9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,19,22)(H,23,24)/t14-/m1/s1
InChIKeyQHNHRYGJBVBHDV-CQSZACIVSA-N
MW361.40 g/mol
LogP2.44
Rot. Bonds9

About (2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid

(2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid (PubChem CID 119364476) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is (2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid
PubChem CID119364476
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name(2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid
SMILESCCc1nc(COc2ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc2)no1
InChIInChI=1S/C18H23N3O5/c1-4-16-20-15(21-26-16)10-25-13-7-5-12(6-8-13)17(22)19-14(18(23)24)9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,19,22)(H,23,24)/t14-/m1/s1
InChIKeyQHNHRYGJBVBHDV-CQSZACIVSA-N
XLogP2.44
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119383309
2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid
CID 119187712
5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid
CID 119234883
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119446462
N-[(2S)-3-methylbutan-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 25362920
2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid
CID 119206239
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429
(2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364558
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
(2S)-4-methyl-2-[(4-propanoylbenzoyl)amino]pentanoic acid
CID 119361961
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599625

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid (CID 119364476) is (2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid is CCc1nc(COc2ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc2)no1.
What is the InChIKey of (2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is QHNHRYGJBVBHDV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-4-16-20-15(21-26-16)10-25-13-7-5-12(6-8-13)17(22)19-14(18(23)24)9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,19,22)(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 361.40 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119364476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).