N-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide

C20H22N4O3 — CID 126541739

IUPACN-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCC(O)c1ccn(CC2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)n1
InChIInChI=1S/C20H22N4O3/c1-13(25)17-7-8-24(22-17)12-14-9-16(10-14)21-20(26)19-11-18(23-27-19)15-5-3-2-4-6-15/h2-8,11,13-14,16,25H,9-10,12H2,1H3,(H,21,26)
InChIKeyPAAVHTKGHVPAJH-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.80
Rot. Bonds6

About N-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide

N-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 126541739) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID126541739
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCC(O)c1ccn(CC2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)n1
InChIInChI=1S/C20H22N4O3/c1-13(25)17-7-8-24(22-17)12-14-9-16(10-14)21-20(26)19-11-18(23-27-19)15-5-3-2-4-6-15/h2-8,11,13-14,16,25H,9-10,12H2,1H3,(H,21,26)
InChIKeyPAAVHTKGHVPAJH-UHFFFAOYSA-N
XLogP2.80
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 126541739) is N-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide is CC(O)c1ccn(CC2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)n1.
What is the InChIKey of N-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is PAAVHTKGHVPAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(25)17-7-8-24(22-17)12-14-9-16(10-14)21-20(26)19-11-18(23-27-19)15-5-3-2-4-6-15/h2-8,11,13-14,16,25H,9-10,12H2,1H3,(H,21,26).
What are the key properties of N-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 126541739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).