5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide

C16H17N5O2 — CID 154786564

IUPAC5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cccnc1CCNC(=O)c1cc(-c2ccn(C)n2)on1
InChIInChI=1S/C16H17N5O2/c1-11-4-3-7-17-12(11)5-8-18-16(22)14-10-15(23-20-14)13-6-9-21(2)19-13/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,22)
InChIKeyVYJVCSSTCZIUIK-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.75
Rot. Bonds5

About 5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide

5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 154786564) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID154786564
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cccnc1CCNC(=O)c1cc(-c2ccn(C)n2)on1
InChIInChI=1S/C16H17N5O2/c1-11-4-3-7-17-12(11)5-8-18-16(22)14-10-15(23-20-14)13-6-9-21(2)19-13/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,22)
InChIKeyVYJVCSSTCZIUIK-UHFFFAOYSA-N
XLogP1.75
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 155273411
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]acetamide
CID 126820100
N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
CID 139676207
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106104946
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106104145
N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305009
N-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 167933062
1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine
CID 112650247
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 166135908
5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 56701087
1-(1-methylpyrazol-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 78948033

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide (CID 154786564) is 5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide is Cc1cccnc1CCNC(=O)c1cc(-c2ccn(C)n2)on1.
What is the InChIKey of 5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VYJVCSSTCZIUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-11-4-3-7-17-12(11)5-8-18-16(22)14-10-15(23-20-14)13-6-9-21(2)19-13/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,22).
What are the key properties of 5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide?
5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154786564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).