N-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H24N4O2 — CID 46998301

IUPACN-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCCn1ncc(C)c1NC(=O)C1CC(C(C)C)=NO1
InChIInChI=1S/C15H24N4O2/c1-5-6-7-19-14(11(4)9-16-19)17-15(20)13-8-12(10(2)3)18-21-13/h9-10,13H,5-8H2,1-4H3,(H,17,20)
InChIKeyYISSWEFNCHURFG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.73
Rot. Bonds6

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

N-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 46998301) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID46998301
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCCn1ncc(C)c1NC(=O)C1CC(C(C)C)=NO1
InChIInChI=1S/C15H24N4O2/c1-5-6-7-19-14(11(4)9-16-19)17-15(20)13-8-12(10(2)3)18-21-13/h9-10,13H,5-8H2,1-4H3,(H,17,20)
InChIKeyYISSWEFNCHURFG-UHFFFAOYSA-N
XLogP2.73
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 46998301) is N-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is CCCCn1ncc(C)c1NC(=O)C1CC(C(C)C)=NO1.
What is the InChIKey of N-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is YISSWEFNCHURFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-6-7-19-14(11(4)9-16-19)17-15(20)13-8-12(10(2)3)18-21-13/h9-10,13H,5-8H2,1-4H3,(H,17,20).
What are the key properties of N-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46998301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).