1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea

C15H21N5O2 — CID 138028054

IUPAC1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea
SMILESCCc1onc(C)c1NC(=O)NCc1cc(C2CC2)nn1C
InChIInChI=1S/C15H21N5O2/c1-4-13-14(9(2)19-22-13)17-15(21)16-8-11-7-12(10-5-6-10)18-20(11)3/h7,10H,4-6,8H2,1-3H3,(H2,16,17,21)
InChIKeyRTFVYGWKRLUWAS-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.48
Rot. Bonds5

About 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea

1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea (PubChem CID 138028054) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea
PubChem CID138028054
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea
SMILESCCc1onc(C)c1NC(=O)NCc1cc(C2CC2)nn1C
InChIInChI=1S/C15H21N5O2/c1-4-13-14(9(2)19-22-13)17-15(21)16-8-11-7-12(10-5-6-10)18-20(11)3/h7,10H,4-6,8H2,1-3H3,(H2,16,17,21)
InChIKeyRTFVYGWKRLUWAS-UHFFFAOYSA-N
XLogP2.48
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea (CID 138028054) is 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea is CCc1onc(C)c1NC(=O)NCc1cc(C2CC2)nn1C.
What is the InChIKey of 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea?
The InChIKey is RTFVYGWKRLUWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-4-13-14(9(2)19-22-13)17-15(21)16-8-11-7-12(10-5-6-10)18-20(11)3/h7,10H,4-6,8H2,1-3H3,(H2,16,17,21).
What are the key properties of 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea?
1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea has a molecular weight of 303.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 138028054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).