N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide

C16H18FN3O3 — CID 810648

IUPACN-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1coc(CN(CC)C(=O)c2ccccc2F)n1
InChIInChI=1S/C16H18FN3O3/c1-3-18-15(21)13-10-23-14(19-13)9-20(4-2)16(22)11-7-5-6-8-12(11)17/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)
InChIKeyJPZKYGVMAZUMOM-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.23
Rot. Bonds6

About N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide

N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 810648) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID810648
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC NameN-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1coc(CN(CC)C(=O)c2ccccc2F)n1
InChIInChI=1S/C16H18FN3O3/c1-3-18-15(21)13-10-23-14(19-13)9-20(4-2)16(22)11-7-5-6-8-12(11)17/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)
InChIKeyJPZKYGVMAZUMOM-UHFFFAOYSA-N
XLogP2.23
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3-bromobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 1195809
2-[[(2-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3891590
2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 3990997
2-[[(2-chlorobenzoyl)-(3-ethoxypropyl)amino]methyl]-N-(3-ethoxypropyl)-1,3-oxazole-4-carboxamide
CID 3436571
2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 5037359
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60655011
2-[[(2-chlorobenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 5125262
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 3993680
N-ethyl-2-[[(3-fluorophenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93157141
2-[[butan-2-yl-[(2-methoxyphenyl)methyl]amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 42835126
N-ethyl-2-[[(2-methylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93157163
2-[[(2-bromophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3658144

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide (CID 810648) is N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide is CCNC(=O)c1coc(CN(CC)C(=O)c2ccccc2F)n1.
What is the InChIKey of N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JPZKYGVMAZUMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-3-18-15(21)13-10-23-14(19-13)9-20(4-2)16(22)11-7-5-6-8-12(11)17/h5-8,10H,3-4,9H2,1-2H3,(H,18,21).
What are the key properties of N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 810648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).