1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea

C15H20N4O3S — CID 71972123

IUPAC1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea
SMILESCCc1noc(CC)c1CNC(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C15H20N4O3S/c1-3-10-9(12(4-2)22-19-10)7-16-14(20)18-15-17-11-5-6-21-8-13(11)23-15/h3-8H2,1-2H3,(H2,16,17,18,20)
InChIKeyLPQBELOJFZXFCW-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.65
Rot. Bonds5

About 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea

1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea (PubChem CID 71972123) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea
PubChem CID71972123
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea
SMILESCCc1noc(CC)c1CNC(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C15H20N4O3S/c1-3-10-9(12(4-2)22-19-10)7-16-14(20)18-15-17-11-5-6-21-8-13(11)23-15/h3-8H2,1-2H3,(H2,16,17,18,20)
InChIKeyLPQBELOJFZXFCW-UHFFFAOYSA-N
XLogP2.65
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea?
The IUPAC name of 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea (CID 71972123) is 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea.
What is the SMILES notation for 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea?
The canonical SMILES for 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea is CCc1noc(CC)c1CNC(=O)Nc1nc2c(s1)COCC2.
What is the InChIKey of 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea?
The InChIKey is LPQBELOJFZXFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-3-10-9(12(4-2)22-19-10)7-16-14(20)18-15-17-11-5-6-21-8-13(11)23-15/h3-8H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea?
1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea has a molecular weight of 336.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea is sourced from PubChem (CID 71972123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).