N-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

C13H16N4O2 — CID 119584981

IUPACN-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESCC(CN)N(C)C(=O)c1cc(-c2ccncc2)on1
InChIInChI=1S/C13H16N4O2/c1-9(8-14)17(2)13(18)11-7-12(19-16-11)10-3-5-15-6-4-10/h3-7,9H,8,14H2,1-2H3
InChIKeyKZOOKPHFDIMQFX-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.16
Rot. Bonds4

About N-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

N-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 119584981) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID119584981
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESCC(CN)N(C)C(=O)c1cc(-c2ccncc2)on1
InChIInChI=1S/C13H16N4O2/c1-9(8-14)17(2)13(18)11-7-12(19-16-11)10-3-5-15-6-4-10/h3-7,9H,8,14H2,1-2H3
InChIKeyKZOOKPHFDIMQFX-UHFFFAOYSA-N
XLogP1.16
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (CID 119584981) is N-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is CC(CN)N(C)C(=O)c1cc(-c2ccncc2)on1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is KZOOKPHFDIMQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(8-14)17(2)13(18)11-7-12(19-16-11)10-3-5-15-6-4-10/h3-7,9H,8,14H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
N-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119584981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).