2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide

C18H21N5O2 — CID 91776197

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCCc1c(C)nn(CC(=O)NCc2cc(-c3cccnc3)no2)c1C
InChIInChI=1S/C18H21N5O2/c1-4-16-12(2)21-23(13(16)3)11-18(24)20-10-15-8-17(22-25-15)14-6-5-7-19-9-14/h5-9H,4,10-11H2,1-3H3,(H,20,24)
InChIKeyDTHPNCUGNREWSW-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.43
Rot. Bonds6

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 91776197) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID91776197
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCCc1c(C)nn(CC(=O)NCc2cc(-c3cccnc3)no2)c1C
InChIInChI=1S/C18H21N5O2/c1-4-16-12(2)21-23(13(16)3)11-18(24)20-10-15-8-17(22-25-15)14-6-5-7-19-9-14/h5-9H,4,10-11H2,1-3H3,(H,20,24)
InChIKeyDTHPNCUGNREWSW-UHFFFAOYSA-N
XLogP2.43
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide
CID 91766713
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91777300
ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
CID 143675921
2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide
CID 46987595
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 50983094
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70722632
5-hexyl-3-pyridin-3-yl-1,2-oxazole
CID 134695050
6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide
CID 118780109
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
CID 122558708
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 91767909
1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 46949495

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide (CID 91776197) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide is CCc1c(C)nn(CC(=O)NCc2cc(-c3cccnc3)no2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is DTHPNCUGNREWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-4-16-12(2)21-23(13(16)3)11-18(24)20-10-15-8-17(22-25-15)14-6-5-7-19-9-14/h5-9H,4,10-11H2,1-3H3,(H,20,24).
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 91776197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).