N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide

C22H22N4O2 — CID 175777978

IUPACN-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2=NOC(Cc3ccccc3)C2)n(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O2/c1-16-12-21(26(24-16)19-10-6-3-7-11-19)22(27)23-15-18-14-20(28-25-18)13-17-8-4-2-5-9-17/h2-12,20H,13-15H2,1H3,(H,23,27)
InChIKeySVQZUXCKYCEYCV-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.30
Rot. Bonds6

About N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide

N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 175777978) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID175777978
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2=NOC(Cc3ccccc3)C2)n(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O2/c1-16-12-21(26(24-16)19-10-6-3-7-11-19)22(27)23-15-18-14-20(28-25-18)13-17-8-4-2-5-9-17/h2-12,20H,13-15H2,1H3,(H,23,27)
InChIKeySVQZUXCKYCEYCV-UHFFFAOYSA-N
XLogP3.30
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide (CID 175777978) is N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2=NOC(Cc3ccccc3)C2)n(-c2ccccc2)n1.
What is the InChIKey of N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is SVQZUXCKYCEYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-12-21(26(24-16)19-10-6-3-7-11-19)22(27)23-15-18-14-20(28-25-18)13-17-8-4-2-5-9-17/h2-12,20H,13-15H2,1H3,(H,23,27).
What are the key properties of N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 175777978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).