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

C15H19N3O3 — CID 53001838

IUPACN-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCCOCCCNC(=O)c1c(-c2cccnc2)noc1C
InChIInChI=1S/C15H19N3O3/c1-3-20-9-5-8-17-15(19)13-11(2)21-18-14(13)12-6-4-7-16-10-12/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,19)
InChIKeyLJFKIBUKQLZFIY-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.20
Rot. Bonds7

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

N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (PubChem CID 53001838) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
PubChem CID53001838
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCCOCCCNC(=O)c1c(-c2cccnc2)noc1C
InChIInChI=1S/C15H19N3O3/c1-3-20-9-5-8-17-15(19)13-11(2)21-18-14(13)12-6-4-7-16-10-12/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,19)
InChIKeyLJFKIBUKQLZFIY-UHFFFAOYSA-N
XLogP2.20
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53015749
N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 166193213
N-[(2-ethoxyphenyl)methyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001859
N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46096966
N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001840
N-[(2-chloro-1,3-oxazol-4-yl)methyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 166371286
N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001781
5-methyl-3-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]-1,2-oxazole-4-carboxamide
CID 57328394
N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001782
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 72861448
1-(4-chlorophenyl)-N-(3-ethoxypropyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125132
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

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (CID 53001838) is N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is CCOCCCNC(=O)c1c(-c2cccnc2)noc1C.
What is the InChIKey of N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The InChIKey is LJFKIBUKQLZFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-20-9-5-8-17-15(19)13-11(2)21-18-14(13)12-6-4-7-16-10-12/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 53001838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).