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

C18H27N5O2 — CID 74238195

IUPAC3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cnn(C2CCCC2)c1NC(=O)N(C)Cc1cc(C(C)C)on1
InChIInChI=1S/C18H27N5O2/c1-12(2)16-9-14(21-25-16)11-22(4)18(24)20-17-13(3)10-19-23(17)15-7-5-6-8-15/h9-10,12,15H,5-8,11H2,1-4H3,(H,20,24)
InChIKeyMZINYNNYQXJSMS-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.08
Rot. Bonds5

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

3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 74238195) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea
PubChem CID74238195
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cnn(C2CCCC2)c1NC(=O)N(C)Cc1cc(C(C)C)on1
InChIInChI=1S/C18H27N5O2/c1-12(2)16-9-14(21-25-16)11-22(4)18(24)20-17-13(3)10-19-23(17)15-7-5-6-8-15/h9-10,12,15H,5-8,11H2,1-4H3,(H,20,24)
InChIKeyMZINYNNYQXJSMS-UHFFFAOYSA-N
XLogP4.08
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea (CID 74238195) is 3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea is Cc1cnn(C2CCCC2)c1NC(=O)N(C)Cc1cc(C(C)C)on1.
What is the InChIKey of 3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is MZINYNNYQXJSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12(2)16-9-14(21-25-16)11-22(4)18(24)20-17-13(3)10-19-23(17)15-7-5-6-8-15/h9-10,12,15H,5-8,11H2,1-4H3,(H,20,24).
What are the key properties of 3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea?
3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 345.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentyl-4-methylpyrazol-5-yl)-1-methyl-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 74238195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).