N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide

C17H19FN2O3 — CID 71919684

IUPACN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide
SMILESCC(NC(=O)Cc1ccon1)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C17H19FN2O3/c1-11(19-17(21)9-14-6-7-23-20-14)13-4-5-16(15(18)8-13)22-10-12-2-3-12/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,21)
InChIKeyGRJXPXWUJVJNSH-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.02
Rot. Bonds7

About N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide

N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide (PubChem CID 71919684) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide
PubChem CID71919684
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC NameN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide
SMILESCC(NC(=O)Cc1ccon1)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C17H19FN2O3/c1-11(19-17(21)9-14-6-7-23-20-14)13-4-5-16(15(18)8-13)22-10-12-2-3-12/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,21)
InChIKeyGRJXPXWUJVJNSH-UHFFFAOYSA-N
XLogP3.02
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide (CID 71919684) is N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide is CC(NC(=O)Cc1ccon1)c1ccc(OCC2CC2)c(F)c1.
What is the InChIKey of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide?
The InChIKey is GRJXPXWUJVJNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-11(19-17(21)9-14-6-7-23-20-14)13-4-5-16(15(18)8-13)22-10-12-2-3-12/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,21).
What are the key properties of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide?
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide has a molecular weight of 318.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 71919684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).