5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide

C14H18N4O2 — CID 70777572

IUPAC5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCNc2cccnc2)no1
InChIInChI=1S/C14H18N4O2/c1-10(2)13-8-12(18-20-13)14(19)17-7-6-16-11-4-3-5-15-9-11/h3-5,8-10,16H,6-7H2,1-2H3,(H,17,19)
InChIKeyBEOCXGRVEYACAE-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.03
Rot. Bonds6

About 5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide

5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 70777572) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID70777572
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCNc2cccnc2)no1
InChIInChI=1S/C14H18N4O2/c1-10(2)13-8-12(18-20-13)14(19)17-7-6-16-11-4-3-5-15-9-11/h3-5,8-10,16H,6-7H2,1-2H3,(H,17,19)
InChIKeyBEOCXGRVEYACAE-UHFFFAOYSA-N
XLogP2.03
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110833086
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 92581052
5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122289324
2,5-dimethyl-N-[2-(pyridin-3-ylamino)ethyl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154887447
(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide
CID 97279364
1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide
CID 77085057
N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 59232393
N-(3,4-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253289
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 70779896
2,4-dimethyl-5-[2-(pyridin-3-ylamino)ethylcarbamoyl]-1H-pyrrole-3-carboxylic acid
CID 74245712
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide (CID 70777572) is 5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NCCNc2cccnc2)no1.
What is the InChIKey of 5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BEOCXGRVEYACAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(2)13-8-12(18-20-13)14(19)17-7-6-16-11-4-3-5-15-9-11/h3-5,8-10,16H,6-7H2,1-2H3,(H,17,19).
What are the key properties of 5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide?
5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70777572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).