(5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C15H22N4O — CID 166940003

IUPAC(5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1c(-c2nn3c(c2C(C)C)O[C@H](C)CC3)cnn1C
InChIInChI=1S/C15H22N4O/c1-9(2)13-14(12-8-16-18(5)11(12)4)17-19-7-6-10(3)20-15(13)19/h8-10H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyIXASLCVCIDGLKC-SNVBAGLBSA-N
MW274.37 g/mol
LogP2.89
Rot. Bonds2

About (5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

(5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 166940003) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID166940003
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1c(-c2nn3c(c2C(C)C)O[C@H](C)CC3)cnn1C
InChIInChI=1S/C15H22N4O/c1-9(2)13-14(12-8-16-18(5)11(12)4)17-19-7-6-10(3)20-15(13)19/h8-10H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyIXASLCVCIDGLKC-SNVBAGLBSA-N
XLogP2.89
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 166940003) is (5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Cc1c(-c2nn3c(c2C(C)C)O[C@H](C)CC3)cnn1C.
What is the InChIKey of (5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is IXASLCVCIDGLKC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N4O/c1-9(2)13-14(12-8-16-18(5)11(12)4)17-19-7-6-10(3)20-15(13)19/h8-10H,6-7H2,1-5H3/t10-/m1/s1.
What are the key properties of (5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 274.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(1,5-dimethylpyrazol-4-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 166940003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).