1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea

C9H13N3O2 — CID 108909931

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)Nc1cc(C)on1
InChIInChI=1S/C9H13N3O2/c1-6(2)5-10-9(13)11-8-4-7(3)14-12-8/h4-5H,1-3H3,(H2,10,11,12,13)
InChIKeySKAVDIIKBJBBBS-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.03
Rot. Bonds2

About 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea

1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108909931) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea
PubChem CID108909931
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)Nc1cc(C)on1
InChIInChI=1S/C9H13N3O2/c1-6(2)5-10-9(13)11-8-4-7(3)14-12-8/h4-5H,1-3H3,(H2,10,11,12,13)
InChIKeySKAVDIIKBJBBBS-UHFFFAOYSA-N
XLogP2.03
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-2-cyclopropylprop-1-enyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108915468
1-(cyclopentylidenemethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108913603
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108908828
1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108895478
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6467048
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 28746271
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide
CID 110866692
3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid
CID 130735467
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea (CID 108909931) is 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea is CC(C)=CNC(=O)Nc1cc(C)on1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is SKAVDIIKBJBBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)5-10-9(13)11-8-4-7(3)14-12-8/h4-5H,1-3H3,(H2,10,11,12,13).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 195.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).