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

C17H30N4O3 — CID 94030432

IUPAC1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NC[C@H](CC(C)C)N2CCOCC2)no1
InChIInChI=1S/C17H30N4O3/c1-13(2)9-16(21-5-7-23-8-6-21)11-18-17(22)20(4)12-15-10-14(3)24-19-15/h10,13,16H,5-9,11-12H2,1-4H3,(H,18,22)/t16-/m0/s1
InChIKeyIFTWDOAFAGQDOI-INIZCTEOSA-N
MW338.45 g/mol
LogP1.87
Rot. Bonds7

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

1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 94030432) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID94030432
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NC[C@H](CC(C)C)N2CCOCC2)no1
InChIInChI=1S/C17H30N4O3/c1-13(2)9-16(21-5-7-23-8-6-21)11-18-17(22)20(4)12-15-10-14(3)24-19-15/h10,13,16H,5-9,11-12H2,1-4H3,(H,18,22)/t16-/m0/s1
InChIKeyIFTWDOAFAGQDOI-INIZCTEOSA-N
XLogP1.87
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 94030432) is 1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CN(C)C(=O)NC[C@H](CC(C)C)N2CCOCC2)no1.
What is the InChIKey of 1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is IFTWDOAFAGQDOI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-13(2)9-16(21-5-7-23-8-6-21)11-18-17(22)20(4)12-15-10-14(3)24-19-15/h10,13,16H,5-9,11-12H2,1-4H3,(H,18,22)/t16-/m0/s1.
What are the key properties of 1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 338.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 94030432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).