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

C15H17FN2O3 — CID 19492599

IUPAC4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC(C)C)c1COc1cccc(F)c1
InChIInChI=1S/C15H17FN2O3/c1-9(2)17-15(19)14-13(10(3)21-18-14)8-20-12-6-4-5-11(16)7-12/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyNJORFTCEXYXPCD-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.84
Rot. Bonds5

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

4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 19492599) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID19492599
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC(C)C)c1COc1cccc(F)c1
InChIInChI=1S/C15H17FN2O3/c1-9(2)17-15(19)14-13(10(3)21-18-14)8-20-12-6-4-5-11(16)7-12/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyNJORFTCEXYXPCD-UHFFFAOYSA-N
XLogP2.84
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 19492747
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
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-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19492552
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492489
4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 19445345
5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide
CID 19488286
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-(2,5-difluorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 17026191

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide (CID 19492599) is 4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NC(C)C)c1COc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is NJORFTCEXYXPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-9(2)17-15(19)14-13(10(3)21-18-14)8-20-12-6-4-5-11(16)7-12/h4-7,9H,8H2,1-3H3,(H,17,19).
What are the key properties of 4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide?
4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19492599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).