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

C23H21FN4O2 — CID 45180251

IUPACN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(Cc1cc(C(=O)NCc2cnn(-c3ccc(F)cc3)c2)on1)c1ccccc1
InChIInChI=1S/C23H21FN4O2/c1-16(18-5-3-2-4-6-18)11-20-12-22(30-27-20)23(29)25-13-17-14-26-28(15-17)21-9-7-19(24)8-10-21/h2-10,12,14-16H,11,13H2,1H3,(H,25,29)
InChIKeyMJKNLTXRNFJFSB-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.28
Rot. Bonds7

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

N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 45180251) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID45180251
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(Cc1cc(C(=O)NCc2cnn(-c3ccc(F)cc3)c2)on1)c1ccccc1
InChIInChI=1S/C23H21FN4O2/c1-16(18-5-3-2-4-6-18)11-20-12-22(30-27-20)23(29)25-13-17-14-26-28(15-17)21-9-7-19(24)8-10-21/h2-10,12,14-16H,11,13H2,1H3,(H,25,29)
InChIKeyMJKNLTXRNFJFSB-UHFFFAOYSA-N
XLogP4.28
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
CID 118754022
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97207538
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64523664
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 51488523
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156584726
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
CID 110931852
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 86968301
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 62835939

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide (CID 45180251) is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide is CC(Cc1cc(C(=O)NCc2cnn(-c3ccc(F)cc3)c2)on1)c1ccccc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is MJKNLTXRNFJFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-16(18-5-3-2-4-6-18)11-20-12-22(30-27-20)23(29)25-13-17-14-26-28(15-17)21-9-7-19(24)8-10-21/h2-10,12,14-16H,11,13H2,1H3,(H,25,29).
What are the key properties of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide?
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45180251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).