1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea

C11H21N5O2 — CID 10422499

IUPAC1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea
SMILESCCN(CC)CCNC(=O)Nc1c(C)noc1N
InChIInChI=1S/C11H21N5O2/c1-4-16(5-2)7-6-13-11(17)14-9-8(3)15-18-10(9)12/h4-7,12H2,1-3H3,(H2,13,14,17)
InChIKeyJKDWUHSRUYCQLU-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.03
Rot. Bonds6

About 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea

1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea (PubChem CID 10422499) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea.

Molecular Properties

Compound Name1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea
PubChem CID10422499
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea
SMILESCCN(CC)CCNC(=O)Nc1c(C)noc1N
InChIInChI=1S/C11H21N5O2/c1-4-16(5-2)7-6-13-11(17)14-9-8(3)15-18-10(9)12/h4-7,12H2,1-3H3,(H2,13,14,17)
InChIKeyJKDWUHSRUYCQLU-UHFFFAOYSA-N
XLogP1.03
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea
CID 127579278
1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea
CID 91829802
1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea
CID 75457792
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4782277
tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate
CID 117274287
1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea
CID 115672493
1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea
CID 141083687
1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea
CID 108868960
4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 65358786
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea?
The IUPAC name of 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea (CID 10422499) is 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea.
What is the SMILES notation for 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea?
The canonical SMILES for 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea is CCN(CC)CCNC(=O)Nc1c(C)noc1N.
What is the InChIKey of 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea?
The InChIKey is JKDWUHSRUYCQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-4-16(5-2)7-6-13-11(17)14-9-8(3)15-18-10(9)12/h4-7,12H2,1-3H3,(H2,13,14,17).
What are the key properties of 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea?
1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea has a molecular weight of 255.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-[2-(diethylamino)ethyl]urea is sourced from PubChem (CID 10422499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).