4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid

C18H22N4O4 — CID 122086537

IUPAC4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C18H22N4O4/c1-18(2,9-8-14(23)24)21-17(25)19-13-5-3-4-12(10-13)15-20-16(26-22-15)11-6-7-11/h3-5,10-11H,6-9H2,1-2H3,(H,23,24)(H2,19,21,25)
InChIKeyKBGQLLNATGCLDM-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.38
Rot. Bonds7

About 4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid

4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 122086537) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
PubChem CID122086537
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C18H22N4O4/c1-18(2,9-8-14(23)24)21-17(25)19-13-5-3-4-12(10-13)15-20-16(26-22-15)11-6-7-11/h3-5,10-11H,6-9H2,1-2H3,(H,23,24)(H2,19,21,25)
InChIKeyKBGQLLNATGCLDM-UHFFFAOYSA-N
XLogP3.38
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid with MolForge

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Related Compounds

1-tert-butyl-3-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 75379397
3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid
CID 122086534
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71856405
2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 53041723
1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777719
4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041739
4-chloro-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041742
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 53041733
4-[(3-carbamoylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107809515
4-[[3-(cyclohexanecarbonylamino)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086280
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide
CID 53041832
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea
CID 166301606

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid (CID 122086537) is 4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1.
What is the InChIKey of 4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is KBGQLLNATGCLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-18(2,9-8-14(23)24)21-17(25)19-13-5-3-4-12(10-13)15-20-16(26-22-15)11-6-7-11/h3-5,10-11H,6-9H2,1-2H3,(H,23,24)(H2,19,21,25).
What are the key properties of 4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 358.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122086537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).