N-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide

C19H15N5O4 — CID 42629962

IUPACN-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1coc(Cn2ccc(NC(=O)c3ncoc3-c3ccccc3)n2)n1
InChIInChI=1S/C19H15N5O4/c1-12(25)14-10-27-16(21-14)9-24-8-7-15(23-24)22-19(26)17-18(28-11-20-17)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,22,23,26)
InChIKeyALLHVEYTOKCOGJ-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.03
Rot. Bonds6

About N-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide

N-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 42629962) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID42629962
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC NameN-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1coc(Cn2ccc(NC(=O)c3ncoc3-c3ccccc3)n2)n1
InChIInChI=1S/C19H15N5O4/c1-12(25)14-10-27-16(21-14)9-24-8-7-15(23-24)22-19(26)17-18(28-11-20-17)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,22,23,26)
InChIKeyALLHVEYTOKCOGJ-UHFFFAOYSA-N
XLogP3.03
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 42629962) is N-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide is CC(=O)c1coc(Cn2ccc(NC(=O)c3ncoc3-c3ccccc3)n2)n1.
What is the InChIKey of N-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is ALLHVEYTOKCOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c1-12(25)14-10-27-16(21-14)9-24-8-7-15(23-24)22-19(26)17-18(28-11-20-17)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,22,23,26).
What are the key properties of N-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
N-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 377.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-acetyl-1,3-oxazol-2-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42629962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).