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

C17H30N4O3 — CID 51084667

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea
SMILESCCC(C)(CNC(=O)N(C)Cc1c(C)noc1C)N1CCOCC1
InChIInChI=1S/C17H30N4O3/c1-6-17(4,21-7-9-23-10-8-21)12-18-16(22)20(5)11-15-13(2)19-24-14(15)3/h6-12H2,1-5H3,(H,18,22)
InChIKeyVCLTXJLWPVGPBW-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.93
Rot. Bonds6

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea (PubChem CID 51084667) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea
PubChem CID51084667
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea
SMILESCCC(C)(CNC(=O)N(C)Cc1c(C)noc1C)N1CCOCC1
InChIInChI=1S/C17H30N4O3/c1-6-17(4,21-7-9-23-10-8-21)12-18-16(22)20(5)11-15-13(2)19-24-14(15)3/h6-12H2,1-5H3,(H,18,22)
InChIKeyVCLTXJLWPVGPBW-UHFFFAOYSA-N
XLogP1.93
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 51083546
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 115604567
3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94097246
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylacetamide
CID 60964165
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94053929
3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94053931
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981692
1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 51082357
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94442857
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 75462199
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea (CID 51084667) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea is CCC(C)(CNC(=O)N(C)Cc1c(C)noc1C)N1CCOCC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea?
The InChIKey is VCLTXJLWPVGPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-6-17(4,21-7-9-23-10-8-21)12-18-16(22)20(5)11-15-13(2)19-24-14(15)3/h6-12H2,1-5H3,(H,18,22).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea has a molecular weight of 338.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylbutyl)urea is sourced from PubChem (CID 51084667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).