N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide

C12H13N3O2 — CID 53015749

IUPACN-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCCNC(=O)c1c(-c2cccnc2)noc1C
InChIInChI=1S/C12H13N3O2/c1-3-14-12(16)10-8(2)17-15-11(10)9-5-4-6-13-7-9/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyBMLROMZOWSIGSW-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.79
Rot. Bonds3

About N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide

N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (PubChem CID 53015749) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
PubChem CID53015749
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCCNC(=O)c1c(-c2cccnc2)noc1C
InChIInChI=1S/C12H13N3O2/c1-3-14-12(16)10-8(2)17-15-11(10)9-5-4-6-13-7-9/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyBMLROMZOWSIGSW-UHFFFAOYSA-N
XLogP1.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001838
N-[(2-ethoxyphenyl)methyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001859
N-[(2-chloro-1,3-oxazol-4-yl)methyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 166371286
N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001840
N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 166193213
N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001781
5-methyl-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 92555785
N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001782
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
3-(2,6-dichlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 1070191
5-methyl-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 53001861
N-ethyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 141194620

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (CID 53015749) is N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is CCNC(=O)c1c(-c2cccnc2)noc1C.
What is the InChIKey of N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The InChIKey is BMLROMZOWSIGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-3-14-12(16)10-8(2)17-15-11(10)9-5-4-6-13-7-9/h4-7H,3H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 53015749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).