1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea

C10H15N3O2 — CID 47360072

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C10H15N3O2/c1-4-5-11-10(14)12-6-9-13-7(2)8(3)15-9/h4H,1,5-6H2,2-3H3,(H2,11,12,14)
InChIKeyPQIPWNKLHDIAHO-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.28
Rot. Bonds4

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea (PubChem CID 47360072) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea
PubChem CID47360072
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C10H15N3O2/c1-4-5-11-10(14)12-6-9-13-7(2)8(3)15-9/h4H,1,5-6H2,2-3H3,(H2,11,12,14)
InChIKeyPQIPWNKLHDIAHO-UHFFFAOYSA-N
XLogP1.28
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 103752681
2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 106374923
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-oxohexanoic acid
CID 106370238
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335717
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea
CID 71925683
2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 104696925
ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate
CID 106375940
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 47344953
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbut-2-enoic acid
CID 106373693
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 106371786

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea (CID 47360072) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea is C=CCNC(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea?
The InChIKey is PQIPWNKLHDIAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-5-11-10(14)12-6-9-13-7(2)8(3)15-9/h4H,1,5-6H2,2-3H3,(H2,11,12,14).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea has a molecular weight of 209.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-prop-2-enylurea is sourced from PubChem (CID 47360072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).