1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea

C12H15N3O2 — CID 115169390

IUPAC1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea
SMILESCNC(=O)NCCc1ccc2nc(C)oc2c1
InChIInChI=1S/C12H15N3O2/c1-8-15-10-4-3-9(7-11(10)17-8)5-6-14-12(16)13-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14,16)
InChIKeyAVEGSLUPUGKLLH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.61
Rot. Bonds3

About 1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea

1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea (PubChem CID 115169390) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea
PubChem CID115169390
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea
SMILESCNC(=O)NCCc1ccc2nc(C)oc2c1
InChIInChI=1S/C12H15N3O2/c1-8-15-10-4-3-9(7-11(10)17-8)5-6-14-12(16)13-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14,16)
InChIKeyAVEGSLUPUGKLLH-UHFFFAOYSA-N
XLogP1.61
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide
CID 110791042
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110791040
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide
CID 110791080
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791067
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219
2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791108
4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide
CID 115155728
3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791095
2-[2-(2-methyl-1,3-benzoxazol-6-yl)ethylamino]ethanethiol
CID 115224265
6-(2-methyl-1,3-benzoxazol-6-yl)hexanoic acid
CID 98784268

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea (CID 115169390) is 1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea is CNC(=O)NCCc1ccc2nc(C)oc2c1.
What is the InChIKey of 1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea?
The InChIKey is AVEGSLUPUGKLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-15-10-4-3-9(7-11(10)17-8)5-6-14-12(16)13-2/h3-4,7H,5-6H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea?
1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea has a molecular weight of 233.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea is sourced from PubChem (CID 115169390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).