N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C18H20N4O2 — CID 5308341

IUPACN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(C(C)C)on3)n2)cc1
InChIInChI=1S/C18H20N4O2/c1-12(2)16-10-15(21-24-16)18(23)19-17-8-9-22(20-17)11-14-6-4-13(3)5-7-14/h4-10,12H,11H2,1-3H3,(H,19,20,23)
InChIKeyCCKDEKYITNDFJH-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.60
Rot. Bonds5

About N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 5308341) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID5308341
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(C(C)C)on3)n2)cc1
InChIInChI=1S/C18H20N4O2/c1-12(2)16-10-15(21-24-16)18(23)19-17-8-9-22(20-17)11-14-6-4-13(3)5-7-14/h4-10,12H,11H2,1-3H3,(H,19,20,23)
InChIKeyCCKDEKYITNDFJH-UHFFFAOYSA-N
XLogP3.60
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 5308341) is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is Cc1ccc(Cn2ccc(NC(=O)c3cc(C(C)C)on3)n2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is CCKDEKYITNDFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(2)16-10-15(21-24-16)18(23)19-17-8-9-22(20-17)11-14-6-4-13(3)5-7-14/h4-10,12H,11H2,1-3H3,(H,19,20,23).
What are the key properties of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5308341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).