1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea

C16H20N4O4 — CID 138025032

IUPAC1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea
SMILESCC(C)Oc1cc(NC(=O)NCc2noc3c2COCC3)ccn1
InChIInChI=1S/C16H20N4O4/c1-10(2)23-15-7-11(3-5-17-15)19-16(21)18-8-13-12-9-22-6-4-14(12)24-20-13/h3,5,7,10H,4,6,8-9H2,1-2H3,(H2,17,18,19,21)
InChIKeyXGXGIICWCMYWOQ-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.25
Rot. Bonds5

About 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea

1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea (PubChem CID 138025032) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea
PubChem CID138025032
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea
SMILESCC(C)Oc1cc(NC(=O)NCc2noc3c2COCC3)ccn1
InChIInChI=1S/C16H20N4O4/c1-10(2)23-15-7-11(3-5-17-15)19-16(21)18-8-13-12-9-22-6-4-14(12)24-20-13/h3,5,7,10H,4,6,8-9H2,1-2H3,(H2,17,18,19,21)
InChIKeyXGXGIICWCMYWOQ-UHFFFAOYSA-N
XLogP2.25
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea (CID 138025032) is 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea is CC(C)Oc1cc(NC(=O)NCc2noc3c2COCC3)ccn1.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea?
The InChIKey is XGXGIICWCMYWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-10(2)23-15-7-11(3-5-17-15)19-16(21)18-8-13-12-9-22-6-4-14(12)24-20-13/h3,5,7,10H,4,6,8-9H2,1-2H3,(H2,17,18,19,21).
What are the key properties of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea?
1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea has a molecular weight of 332.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-propan-2-yloxy-4-pyridinyl)urea is sourced from PubChem (CID 138025032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).