1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea

C15H16N6O2 — CID 138026092

IUPAC1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea
SMILESCc1cc2nccc(NC(=O)NCc3cc(C4CC4)no3)n2n1
InChIInChI=1S/C15H16N6O2/c1-9-6-14-16-5-4-13(21(14)19-9)18-15(22)17-8-11-7-12(20-23-11)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H2,17,18,22)
InChIKeyDFHCZTFCKABKLN-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.22
Rot. Bonds4

About 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea

1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea (PubChem CID 138026092) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea
PubChem CID138026092
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea
SMILESCc1cc2nccc(NC(=O)NCc3cc(C4CC4)no3)n2n1
InChIInChI=1S/C15H16N6O2/c1-9-6-14-16-5-4-13(21(14)19-9)18-15(22)17-8-11-7-12(20-23-11)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H2,17,18,22)
InChIKeyDFHCZTFCKABKLN-UHFFFAOYSA-N
XLogP2.22
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea?
The IUPAC name of 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea (CID 138026092) is 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea?
The canonical SMILES for 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea is Cc1cc2nccc(NC(=O)NCc3cc(C4CC4)no3)n2n1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea?
The InChIKey is DFHCZTFCKABKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-9-6-14-16-5-4-13(21(14)19-9)18-15(22)17-8-11-7-12(20-23-11)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H2,17,18,22).
What are the key properties of 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea?
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea has a molecular weight of 312.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)urea is sourced from PubChem (CID 138026092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).