N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C19H20FN5O3 — CID 92632302

IUPACN-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cnn(CC(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C19H20FN5O3/c1-12-18(13(2)28-24-12)19(27)23-15-9-22-25(10-15)11-17(26)21-8-7-14-5-3-4-6-16(14)20/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,26)(H,23,27)
InChIKeyZVHTZYLLMUFLAA-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.24
Rot. Bonds7

About N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 92632302) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID92632302
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC NameN-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cnn(CC(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C19H20FN5O3/c1-12-18(13(2)28-24-12)19(27)23-15-9-22-25(10-15)11-17(26)21-8-7-14-5-3-4-6-16(14)20/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,26)(H,23,27)
InChIKeyZVHTZYLLMUFLAA-UHFFFAOYSA-N
XLogP2.24
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 43445345
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2-(4-acetamidotriazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112529383
N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide
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CID 92634677
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 47862975
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 56782243
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 60544723
4-fluoro-N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 92634672
N-[2-(2-fluorophenyl)ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691877
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 92632302) is N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1cnn(CC(=O)NCCc2ccccc2F)c1.
What is the InChIKey of N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZVHTZYLLMUFLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-12-18(13(2)28-24-12)19(27)23-15-9-22-25(10-15)11-17(26)21-8-7-14-5-3-4-6-16(14)20/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,26)(H,23,27).
What are the key properties of N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 92632302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).