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

C19H15N5O4 — CID 66929161

IUPACN-[1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ncc(Cn2ccc(NC(=O)c3ncoc3-c3ccccc3)n2)o1
InChIInChI=1S/C19H15N5O4/c1-12(25)19-20-9-14(28-19)10-24-8-7-15(23-24)22-18(26)16-17(27-11-21-16)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,22,23,26)
InChIKeyOXOCYJJZFDQSDT-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.03
Rot. Bonds6

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

N-[1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 66929161) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID66929161
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC NameN-[1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ncc(Cn2ccc(NC(=O)c3ncoc3-c3ccccc3)n2)o1
InChIInChI=1S/C19H15N5O4/c1-12(25)19-20-9-14(28-19)10-24-8-7-15(23-24)22-18(26)16-17(27-11-21-16)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,22,23,26)
InChIKeyOXOCYJJZFDQSDT-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-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 66929161) is N-[1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide is CC(=O)c1ncc(Cn2ccc(NC(=O)c3ncoc3-c3ccccc3)n2)o1.
What is the InChIKey of N-[1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is OXOCYJJZFDQSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c1-12(25)19-20-9-14(28-19)10-24-8-7-15(23-24)22-18(26)16-17(27-11-21-16)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,22,23,26).
What are the key properties of N-[1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
N-[1-[(2-acetyl-1,3-oxazol-5-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-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazol-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 66929161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).