3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H17N5O2 — CID 3245512

IUPAC3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)Nc3cccnc3)C2)c1C
InChIInChI=1S/C15H17N5O2/c1-3-20-10(2)12(9-17-20)13-7-14(22-19-13)15(21)18-11-5-4-6-16-8-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,18,21)
InChIKeyYDVYGBJABYSGKJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.74
Rot. Bonds4

About 3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3245512) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3245512
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)Nc3cccnc3)C2)c1C
InChIInChI=1S/C15H17N5O2/c1-3-20-10(2)12(9-17-20)13-7-14(22-19-13)15(21)18-11-5-4-6-16-8-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,18,21)
InChIKeyYDVYGBJABYSGKJ-UHFFFAOYSA-N
XLogP1.74
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3245512) is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1ncc(C2=NOC(C(=O)Nc3cccnc3)C2)c1C.
What is the InChIKey of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is YDVYGBJABYSGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-3-20-10(2)12(9-17-20)13-7-14(22-19-13)15(21)18-11-5-4-6-16-8-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,18,21).
What are the key properties of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3245512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).