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

C16H19FN2O3 — CID 19492841

IUPAC4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NCC(C)C)c1COc1ccccc1F
InChIInChI=1S/C16H19FN2O3/c1-10(2)8-18-16(20)15-12(11(3)22-19-15)9-21-14-7-5-4-6-13(14)17/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyYBIRRLXCNGQRTR-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.09
Rot. Bonds6

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

4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 19492841) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID19492841
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NCC(C)C)c1COc1ccccc1F
InChIInChI=1S/C16H19FN2O3/c1-10(2)8-18-16(20)15-12(11(3)22-19-15)9-21-14-7-5-4-6-13(14)17/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyYBIRRLXCNGQRTR-UHFFFAOYSA-N
XLogP3.09
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 19483909
4-[(2-fluorophenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
CID 19490221
4-[(2-fluorophenoxy)methyl]-5-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 19490191
N-cycloheptyl-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492794
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492810
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 19490314
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492838
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19492833
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
CID 19442847
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide
CID 19442830
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483878
methyl 2-[[4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19492821

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 19492841) is 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NCC(C)C)c1COc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YBIRRLXCNGQRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-10(2)8-18-16(20)15-12(11(3)22-19-15)9-21-14-7-5-4-6-13(14)17/h4-7,10H,8-9H2,1-3H3,(H,18,20).
What are the key properties of 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19492841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).