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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[2-(morpholin-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 17095595
3-Cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 38236095
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 45805111
1-Methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 45830997
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 47862381
3-(1-Cyclopropylpiperidin-4-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 51084123
N-methyl-2-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide
CID 53498056
3-(1-Methoxypropan-2-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 53505826
1-Ethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 53573320
Tert-butyl 3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 53587606
N,N-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-2-yl]methanamine
CID 53609647

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).