N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

C17H20FN3O3 — CID 75371461

IUPACN-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(c2ccc(F)cn2)C2CCOCC2)on1
InChIInChI=1S/C17H20FN3O3/c1-11(2)14-9-15(24-20-14)17(22)21(13-5-7-23-8-6-13)16-4-3-12(18)10-19-16/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeySEEYMFUVOYATOA-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.16
Rot. Bonds4

About N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 75371461) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID75371461
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC NameN-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(c2ccc(F)cn2)C2CCOCC2)on1
InChIInChI=1S/C17H20FN3O3/c1-11(2)14-9-15(24-20-14)17(22)21(13-5-7-23-8-6-13)16-4-3-12(18)10-19-16/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeySEEYMFUVOYATOA-UHFFFAOYSA-N
XLogP3.16
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 75371461) is N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)N(c2ccc(F)cn2)C2CCOCC2)on1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is SEEYMFUVOYATOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11(2)14-9-15(24-20-14)17(22)21(13-5-7-23-8-6-13)16-4-3-12(18)10-19-16/h3-4,9-11,13H,5-8H2,1-2H3.
What are the key properties of N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75371461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).