3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

C10H14BrN3O2 — CID 47442443

IUPAC3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESC=C(Br)CNC(=O)N(C)Cc1cc(C)on1
InChIInChI=1S/C10H14BrN3O2/c1-7(11)5-12-10(15)14(3)6-9-4-8(2)16-13-9/h4H,1,5-6H2,2-3H3,(H,12,15)
InChIKeyVUTFIRVYIPOFSO-UHFFFAOYSA-N
MW288.15 g/mol
LogP2.03
Rot. Bonds4

About 3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 47442443) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.15 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID47442443
Molecular FormulaC10H14BrN3O2
Molecular Weight288.15 g/mol
Exact Mass287.03
IUPAC Name3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESC=C(Br)CNC(=O)N(C)Cc1cc(C)on1
InChIInChI=1S/C10H14BrN3O2/c1-7(11)5-12-10(15)14(3)6-9-4-8(2)16-13-9/h4H,1,5-6H2,2-3H3,(H,12,15)
InChIKeyVUTFIRVYIPOFSO-UHFFFAOYSA-N
XLogP2.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea with MolForge

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Related Compounds

1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94124276
3-amino-N,2,2,3-tetramethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 65264344
1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 94030397
4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 38880738
3-(3,4-difluorophenyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47194688
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588863
N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86862693
4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 113338807
6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 103875136
3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 87003197
1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 94030432

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 47442443) is 3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is C=C(Br)CNC(=O)N(C)Cc1cc(C)on1.
What is the InChIKey of 3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is VUTFIRVYIPOFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-7(11)5-12-10(15)14(3)6-9-4-8(2)16-13-9/h4H,1,5-6H2,2-3H3,(H,12,15).
What are the key properties of 3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 288.15 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 47442443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).