1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C19H20N4O4 — CID 47065602

IUPAC1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)Nc2cc(C)on2)cn1
InChIInChI=1S/C19H20N4O4/c1-3-25-15-6-4-5-7-16(15)26-18-9-8-14(11-20-18)12-21-19(24)22-17-10-13(2)27-23-17/h4-11H,3,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyHWPAKDIVPFBCHZ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.89
Rot. Bonds7

About 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 47065602) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID47065602
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)Nc2cc(C)on2)cn1
InChIInChI=1S/C19H20N4O4/c1-3-25-15-6-4-5-7-16(15)26-18-9-8-14(11-20-18)12-21-19(24)22-17-10-13(2)27-23-17/h4-11H,3,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyHWPAKDIVPFBCHZ-UHFFFAOYSA-N
XLogP3.89
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 55821483
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 87006587
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 47066017
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
CID 87006586
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 55929980
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
CID 55929979
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55805570
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 86882869
1-benzyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 110952298
4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
CID 55933615
1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94025139

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 47065602) is 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is CCOc1ccccc1Oc1ccc(CNC(=O)Nc2cc(C)on2)cn1.
What is the InChIKey of 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is HWPAKDIVPFBCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-3-25-15-6-4-5-7-16(15)26-18-9-8-14(11-20-18)12-21-19(24)22-17-10-13(2)27-23-17/h4-11H,3,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 368.39 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 47065602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).