3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

C12H14N4O2 — CID 43700063

IUPAC3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCc1nnc(-c2ccccc2NC(=O)CCN)o1
InChIInChI=1S/C12H14N4O2/c1-8-15-16-12(18-8)9-4-2-3-5-10(9)14-11(17)6-7-13/h2-5H,6-7,13H2,1H3,(H,14,17)
InChIKeyXEEDLAPNYYVMML-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.33
Rot. Bonds4

About 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 43700063) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID43700063
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCc1nnc(-c2ccccc2NC(=O)CCN)o1
InChIInChI=1S/C12H14N4O2/c1-8-15-16-12(18-8)9-4-2-3-5-10(9)14-11(17)6-7-13/h2-5H,6-7,13H2,1H3,(H,14,17)
InChIKeyXEEDLAPNYYVMML-UHFFFAOYSA-N
XLogP1.33
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylamino)-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 60867247
2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid
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4-cyclohexyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 56813876
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide
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(2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 61155830
2-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]hexanamide
CID 60852236
3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide
CID 64892717
2-(azetidin-3-ylidene)-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 116675171
1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 63666407
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982597
1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 83084278
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 43700063) is 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is Cc1nnc(-c2ccccc2NC(=O)CCN)o1.
What is the InChIKey of 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is XEEDLAPNYYVMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-15-16-12(18-8)9-4-2-3-5-10(9)14-11(17)6-7-13/h2-5H,6-7,13H2,1H3,(H,14,17).
What are the key properties of 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 246.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 43700063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).