N-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

C19H18FN3O3 — CID 42239791

IUPACN-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1coc(COc2cccc(F)c2)n1
InChIInChI=1S/C19H18FN3O3/c1-2-23(11-14-6-8-21-9-7-14)19(24)17-12-26-18(22-17)13-25-16-5-3-4-15(20)10-16/h3-10,12H,2,11,13H2,1H3
InChIKeyBQHXGSSEGFUBKN-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.45
Rot. Bonds7

About N-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

N-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42239791) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID42239791
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1coc(COc2cccc(F)c2)n1
InChIInChI=1S/C19H18FN3O3/c1-2-23(11-14-6-8-21-9-7-14)19(24)17-12-26-18(22-17)13-25-16-5-3-4-15(20)10-16/h3-10,12H,2,11,13H2,1H3
InChIKeyBQHXGSSEGFUBKN-UHFFFAOYSA-N
XLogP3.45
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ALP-POS-ced8ea4d-12
CID 156906590
ALP-POS-ced8ea4d-32
CID 156906609
5-({4-[(2-Methyl-1-piperidinyl)carbonyl]-1,3-oxazol-2-yl}methoxy)isoquinoline
CID 45183860
ALP-POS-ced8ea4d-40
CID 156906615
ALP-POS-ced8ea4d-55
CID 156906622
ALP-POS-ced8ea4d-67
CID 156906628
2-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(4-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 42098982
US9617282, Example 3
CID 86299281
US9617282, Example 1
CID 86299283
US9617282, Example 53
CID 86299716
US9617282, Example 54
CID 86299717
US9617282, Example 58
CID 86299790

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (CID 42239791) is N-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is CCN(Cc1ccncc1)C(=O)c1coc(COc2cccc(F)c2)n1.
What is the InChIKey of N-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is BQHXGSSEGFUBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-2-23(11-14-6-8-21-9-7-14)19(24)17-12-26-18(22-17)13-25-16-5-3-4-15(20)10-16/h3-10,12H,2,11,13H2,1H3.
What are the key properties of N-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
N-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-fluorophenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42239791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).