1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

C16H28N4O3 — CID 94030397

IUPAC1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NC[C@@H](C(C)C)N2CCOCC2)no1
InChIInChI=1S/C16H28N4O3/c1-12(2)15(20-5-7-22-8-6-20)10-17-16(21)19(4)11-14-9-13(3)23-18-14/h9,12,15H,5-8,10-11H2,1-4H3,(H,17,21)/t15-/m0/s1
InChIKeyJANIXONKUWXSFL-HNNXBMFYSA-N
MW324.43 g/mol
LogP1.48
Rot. Bonds6

About 1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 94030397) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID94030397
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NC[C@@H](C(C)C)N2CCOCC2)no1
InChIInChI=1S/C16H28N4O3/c1-12(2)15(20-5-7-22-8-6-20)10-17-16(21)19(4)11-14-9-13(3)23-18-14/h9,12,15H,5-8,10-11H2,1-4H3,(H,17,21)/t15-/m0/s1
InChIKeyJANIXONKUWXSFL-HNNXBMFYSA-N
XLogP1.48
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 94030397) is 1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CN(C)C(=O)NC[C@@H](C(C)C)N2CCOCC2)no1.
What is the InChIKey of 1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is JANIXONKUWXSFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-12(2)15(20-5-7-22-8-6-20)10-17-16(21)19(4)11-14-9-13(3)23-18-14/h9,12,15H,5-8,10-11H2,1-4H3,(H,17,21)/t15-/m0/s1.
What are the key properties of 1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 324.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 94030397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).