N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H22N4O2 — CID 166358020

IUPACN-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)(C)C1=NOC(C(=O)Nc2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C18H22N4O2/c1-18(2,3)16-9-15(24-21-16)17(23)20-14-10-19-22(12-14)11-13-7-5-4-6-8-13/h4-8,10,12,15H,9,11H2,1-3H3,(H,20,23)
InChIKeyONFIYWRVYTWKSL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.06
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 166358020) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID166358020
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)(C)C1=NOC(C(=O)Nc2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C18H22N4O2/c1-18(2,3)16-9-15(24-21-16)17(23)20-14-10-19-22(12-14)11-13-7-5-4-6-8-13/h4-8,10,12,15H,9,11H2,1-3H3,(H,20,23)
InChIKeyONFIYWRVYTWKSL-UHFFFAOYSA-N
XLogP3.06
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide
CID 120788956
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
5-amino-N-(1-benzylpyrazol-4-yl)pyrazolidine-3-carboxamide
CID 77042902
(5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1249101
3-[(1-benzylpyrazol-4-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 3439709
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491606
1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
CID 127768446
3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
CID 82539638
(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119740026
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 166358020) is N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)(C)C1=NOC(C(=O)Nc2cnn(Cc3ccccc3)c2)C1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ONFIYWRVYTWKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-18(2,3)16-9-15(24-21-16)17(23)20-14-10-19-22(12-14)11-13-7-5-4-6-8-13/h4-8,10,12,15H,9,11H2,1-3H3,(H,20,23).
What are the key properties of N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 166358020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).