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

C15H16N4O4 — CID 122086534

IUPAC3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C15H16N4O4/c20-12(21)6-7-16-15(22)17-11-3-1-2-10(8-11)13-18-14(23-19-13)9-4-5-9/h1-3,8-9H,4-7H2,(H,20,21)(H2,16,17,22)
InChIKeyQSWIIIAAMNNSFY-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.21
Rot. Bonds6

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

3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid (PubChem CID 122086534) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid
PubChem CID122086534
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C15H16N4O4/c20-12(21)6-7-16-15(22)17-11-3-1-2-10(8-11)13-18-14(23-19-13)9-4-5-9/h1-3,8-9H,4-7H2,(H,20,21)(H2,16,17,22)
InChIKeyQSWIIIAAMNNSFY-UHFFFAOYSA-N
XLogP2.21
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086537
1-tert-butyl-3-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 75379397
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71856405
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
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
1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777666
5-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide
CID 53057030
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide
CID 53041832
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 71856410

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid (CID 122086534) is 3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid is O=C(O)CCNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1.
What is the InChIKey of 3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid?
The InChIKey is QSWIIIAAMNNSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c20-12(21)6-7-16-15(22)17-11-3-1-2-10(8-11)13-18-14(23-19-13)9-4-5-9/h1-3,8-9H,4-7H2,(H,20,21)(H2,16,17,22).
What are the key properties of 3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid?
3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid has a molecular weight of 316.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122086534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).