(1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

C15H20N4O2 — CID 170509577

IUPAC(1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCCn1ccc(C(=O)N2CCc3oc(C(C)C)nc3C2)n1
InChIInChI=1S/C15H20N4O2/c1-4-19-8-5-11(17-19)15(20)18-7-6-13-12(9-18)16-14(21-13)10(2)3/h5,8,10H,4,6-7,9H2,1-3H3
InChIKeyQHJUIAJKLDUIKK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.21
Rot. Bonds3

About (1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

(1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 170509577) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID170509577
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCCn1ccc(C(=O)N2CCc3oc(C(C)C)nc3C2)n1
InChIInChI=1S/C15H20N4O2/c1-4-19-8-5-11(17-19)15(20)18-7-6-13-12(9-18)16-14(21-13)10(2)3/h5,8,10H,4,6-7,9H2,1-3H3
InChIKeyQHJUIAJKLDUIKK-UHFFFAOYSA-N
XLogP2.21
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 170509577) is (1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is CCn1ccc(C(=O)N2CCc3oc(C(C)C)nc3C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is QHJUIAJKLDUIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-19-8-5-11(17-19)15(20)18-7-6-13-12(9-18)16-14(21-13)10(2)3/h5,8,10H,4,6-7,9H2,1-3H3.
What are the key properties of (1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
(1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 170509577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).