1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea

C16H20N4O3 — CID 138054205

IUPAC1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea
SMILESCCc1onc(C)c1CNC(=O)Nc1cnc2c(c1)COCC2
InChIInChI=1S/C16H20N4O3/c1-3-15-13(10(2)20-23-15)8-18-16(21)19-12-6-11-9-22-5-4-14(11)17-7-12/h6-7H,3-5,8-9H2,1-2H3,(H2,18,19,21)
InChIKeyHEFKHQCZMUMOIH-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.33
Rot. Bonds4

About 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea

1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea (PubChem CID 138054205) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea
PubChem CID138054205
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea
SMILESCCc1onc(C)c1CNC(=O)Nc1cnc2c(c1)COCC2
InChIInChI=1S/C16H20N4O3/c1-3-15-13(10(2)20-23-15)8-18-16(21)19-12-6-11-9-22-5-4-14(11)17-7-12/h6-7H,3-5,8-9H2,1-2H3,(H2,18,19,21)
InChIKeyHEFKHQCZMUMOIH-UHFFFAOYSA-N
XLogP2.33
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 138027518
1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea
CID 167787672
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea
CID 138054203
N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
CID 164584215
1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea
CID 136584166
1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea
CID 146143349
1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea
CID 128786675
3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea
CID 146143348
1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea
CID 138026074
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea
CID 138027802
(3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 97259812
1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-ethylurea
CID 71972681

Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea (CID 138054205) is 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea is CCc1onc(C)c1CNC(=O)Nc1cnc2c(c1)COCC2.
What is the InChIKey of 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea?
The InChIKey is HEFKHQCZMUMOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-15-13(10(2)20-23-15)8-18-16(21)19-12-6-11-9-22-5-4-14(11)17-7-12/h6-7H,3-5,8-9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea?
1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea has a molecular weight of 316.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 138054205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).