1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea

C17H24N6O4 — CID 72941383

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea
SMILESCc1noc(C)c1NC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C17H24N6O4/c1-11-16(12(2)27-21-11)20-17(25)18-5-4-14-10-23(6-7-26-14)13-8-15(24)22(3)19-9-13/h8-9,14H,4-7,10H2,1-3H3,(H2,18,20,25)
InChIKeyKNEHZNKTQSBJRQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP0.80
Rot. Bonds5

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea (PubChem CID 72941383) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea
PubChem CID72941383
Molecular FormulaC17H24N6O4
Molecular Weight376.42 g/mol
Exact Mass376.19
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea
SMILESCc1noc(C)c1NC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C17H24N6O4/c1-11-16(12(2)27-21-11)20-17(25)18-5-4-14-10-23(6-7-26-14)13-8-15(24)22(3)19-9-13/h8-9,14H,4-7,10H2,1-3H3,(H2,18,20,25)
InChIKeyKNEHZNKTQSBJRQ-UHFFFAOYSA-N
XLogP0.80
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea (CID 72941383) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea is Cc1noc(C)c1NC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea?
The InChIKey is KNEHZNKTQSBJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4/c1-11-16(12(2)27-21-11)20-17(25)18-5-4-14-10-23(6-7-26-14)13-8-15(24)22(3)19-9-13/h8-9,14H,4-7,10H2,1-3H3,(H2,18,20,25).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea has a molecular weight of 376.42 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea is sourced from PubChem (CID 72941383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).