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

C19H21FN4O3 — CID 19492747

IUPAC4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccn(CC(C)NC(=O)c2noc(C)c2COc2cccc(F)c2)n1
InChIInChI=1S/C19H21FN4O3/c1-12-7-8-24(22-12)10-13(2)21-19(25)18-17(14(3)27-23-18)11-26-16-6-4-5-15(20)9-16/h4-9,13H,10-11H2,1-3H3,(H,21,25)
InChIKeyIEHAWXZYCGXWEA-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.02
Rot. Bonds7

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

4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 19492747) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID19492747
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccn(CC(C)NC(=O)c2noc(C)c2COc2cccc(F)c2)n1
InChIInChI=1S/C19H21FN4O3/c1-12-7-8-24(22-12)10-13(2)21-19(25)18-17(14(3)27-23-18)11-26-16-6-4-5-15(20)9-16/h4-9,13H,10-11H2,1-3H3,(H,21,25)
InChIKeyIEHAWXZYCGXWEA-UHFFFAOYSA-N
XLogP3.02
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 19492599
4-[(3-chlorophenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444180
4-[(3-fluorophenoxy)methyl]-N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492576
N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492614
N-butan-2-yl-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445363
4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19492670
N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492520
N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492574
4-[(3-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19492552
4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445175
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492523
N-[1-[(4-bromophenyl)methyl]-4-chloropyrazol-3-yl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492740

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide (CID 19492747) is 4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide is Cc1ccn(CC(C)NC(=O)c2noc(C)c2COc2cccc(F)c2)n1.
What is the InChIKey of 4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is IEHAWXZYCGXWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-12-7-8-24(22-12)10-13(2)21-19(25)18-17(14(3)27-23-18)11-26-16-6-4-5-15(20)9-16/h4-9,13H,10-11H2,1-3H3,(H,21,25).
What are the key properties of 4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide?
4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19492747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).