5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide

C14H18F3NO3 — CID 97051830

IUPAC5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
SMILESCCc1ccc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)o1
InChIInChI=1S/C14H18F3NO3/c1-2-11-5-6-12(21-11)13(19)18(9-14(15,16)17)10-4-3-7-20-8-10/h5-6,10H,2-4,7-9H2,1H3/t10-/m1/s1
InChIKeyGHCFEBGGAILUFF-SNVBAGLBSA-N
MW305.30 g/mol
LogP3.03
Rot. Bonds4

About 5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide

5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide (PubChem CID 97051830) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
PubChem CID97051830
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
SMILESCCc1ccc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)o1
InChIInChI=1S/C14H18F3NO3/c1-2-11-5-6-12(21-11)13(19)18(9-14(15,16)17)10-4-3-7-20-8-10/h5-6,10H,2-4,7-9H2,1H3/t10-/m1/s1
InChIKeyGHCFEBGGAILUFF-SNVBAGLBSA-N
XLogP3.03
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 97051798
5-methyl-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 71856740
N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 97051794
N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide
CID 79084217
N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide
CID 102873797
2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 119211315
1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 97051800
N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 78883229
N-cyclopropyl-5-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79721164
5-ethyl-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 79094742
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 71796118
N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide
CID 126431945

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide (CID 97051830) is 5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide is CCc1ccc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)o1.
What is the InChIKey of 5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
The InChIKey is GHCFEBGGAILUFF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-2-11-5-6-12(21-11)13(19)18(9-14(15,16)17)10-4-3-7-20-8-10/h5-6,10H,2-4,7-9H2,1H3/t10-/m1/s1.
What are the key properties of 5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide is sourced from PubChem (CID 97051830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).