2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

C14H18N4O2 — CID 3857442

IUPAC2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)C(N)c1nc(C(=O)NCc2ccccn2)co1
InChIInChI=1S/C14H18N4O2/c1-9(2)12(15)14-18-11(8-20-14)13(19)17-7-10-5-3-4-6-16-10/h3-6,8-9,12H,7,15H2,1-2H3,(H,17,19)
InChIKeyMFASQUBFNHHVOK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.66
Rot. Bonds5

About 2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 3857442) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID3857442
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)C(N)c1nc(C(=O)NCc2ccccn2)co1
InChIInChI=1S/C14H18N4O2/c1-9(2)12(15)14-18-11(8-20-14)13(19)17-7-10-5-3-4-6-16-10/h3-6,8-9,12H,7,15H2,1-2H3,(H,17,19)
InChIKeyMFASQUBFNHHVOK-UHFFFAOYSA-N
XLogP1.66
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3841739
2-(1-amino-2-phenylethyl)-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 3807301
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 3836314
2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
CID 3839796
2-(aminomethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66377414
2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3850439
2-(1-amino-2-methylbutyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3271164
2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide
CID 3672043
2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 5017733
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 3857442) is 2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide is CC(C)C(N)c1nc(C(=O)NCc2ccccn2)co1.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MFASQUBFNHHVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(2)12(15)14-18-11(8-20-14)13(19)17-7-10-5-3-4-6-16-10/h3-6,8-9,12H,7,15H2,1-2H3,(H,17,19).
What are the key properties of 2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3857442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).