3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide

C14H21N5O3 — CID 136590468

IUPAC3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nn(C)c(N(C)C)c1-c1noc(C)c1C(=O)NCCO
InChIInChI=1S/C14H21N5O3/c1-8-10(14(18(3)4)19(5)16-8)12-11(9(2)22-17-12)13(21)15-6-7-20/h20H,6-7H2,1-5H3,(H,15,21)
InChIKeyMPPKSZSRQHDEFL-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.48
Rot. Bonds5

About 3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide

3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 136590468) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID136590468
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nn(C)c(N(C)C)c1-c1noc(C)c1C(=O)NCCO
InChIInChI=1S/C14H21N5O3/c1-8-10(14(18(3)4)19(5)16-8)12-11(9(2)22-17-12)13(21)15-6-7-20/h20H,6-7H2,1-5H3,(H,15,21)
InChIKeyMPPKSZSRQHDEFL-UHFFFAOYSA-N
XLogP0.48
TPSA96.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 136590468) is 3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1nn(C)c(N(C)C)c1-c1noc(C)c1C(=O)NCCO.
What is the InChIKey of 3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MPPKSZSRQHDEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-8-10(14(18(3)4)19(5)16-8)12-11(9(2)22-17-12)13(21)15-6-7-20/h20H,6-7H2,1-5H3,(H,15,21).
What are the key properties of 3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 136590468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).