1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea

C12H19N3O3 — CID 111862444

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea
SMILESCc1nc(NC(=O)N(C)CC(O)C2CC2)oc1C
InChIInChI=1S/C12H19N3O3/c1-7-8(2)18-11(13-7)14-12(17)15(3)6-10(16)9-4-5-9/h9-10,16H,4-6H2,1-3H3,(H,13,14,17)
InChIKeyNUUVUGHMTHHISA-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.53
Rot. Bonds4

About 1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea

1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea (PubChem CID 111862444) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea
PubChem CID111862444
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea
SMILESCc1nc(NC(=O)N(C)CC(O)C2CC2)oc1C
InChIInChI=1S/C12H19N3O3/c1-7-8(2)18-11(13-7)14-12(17)15(3)6-10(16)9-4-5-9/h9-10,16H,4-6H2,1-3H3,(H,13,14,17)
InChIKeyNUUVUGHMTHHISA-UHFFFAOYSA-N
XLogP1.53
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea (CID 111862444) is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea is Cc1nc(NC(=O)N(C)CC(O)C2CC2)oc1C.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea?
The InChIKey is NUUVUGHMTHHISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7-8(2)18-11(13-7)14-12(17)15(3)6-10(16)9-4-5-9/h9-10,16H,4-6H2,1-3H3,(H,13,14,17).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea?
1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea has a molecular weight of 253.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea is sourced from PubChem (CID 111862444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).