1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea

C9H15N3O2 — CID 115626660

IUPAC1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
SMILESCNC(=O)NC(C)c1c(C)noc1C
InChIInChI=1S/C9H15N3O2/c1-5(11-9(13)10-4)8-6(2)12-14-7(8)3/h5H,1-4H3,(H2,10,11,13)
InChIKeyQZWZAGDSMCFUMW-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.28
Rot. Bonds2

About 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea (PubChem CID 115626660) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
PubChem CID115626660
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
SMILESCNC(=O)NC(C)c1c(C)noc1C
InChIInChI=1S/C9H15N3O2/c1-5(11-9(13)10-4)8-6(2)12-14-7(8)3/h5H,1-4H3,(H2,10,11,13)
InChIKeyQZWZAGDSMCFUMW-UHFFFAOYSA-N
XLogP1.28
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
CID 79242440
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856758
2-cyano-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbutanamide
CID 79236801
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455508
(2R)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828295
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypentanamide
CID 79237770
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propanamide
CID 79237007
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 96546435
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109390007
5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
CID 95905887
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537298

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea (CID 115626660) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea is CNC(=O)NC(C)c1c(C)noc1C.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea?
The InChIKey is QZWZAGDSMCFUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5(11-9(13)10-4)8-6(2)12-14-7(8)3/h5H,1-4H3,(H2,10,11,13).
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea?
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea has a molecular weight of 197.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea is sourced from PubChem (CID 115626660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).