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

C18H21N3O3 — CID 97405893

IUPAC[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCc3onc(COCC4CC4)c3C2)n1
InChIInChI=1S/C18H21N3O3/c1-12-3-2-4-15(19-12)18(22)21-8-7-17-14(9-21)16(20-24-17)11-23-10-13-5-6-13/h2-4,13H,5-11H2,1H3
InChIKeyNKXJMEZVNZUAHL-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.50
Rot. Bonds5

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

[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 97405893) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID97405893
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCc3onc(COCC4CC4)c3C2)n1
InChIInChI=1S/C18H21N3O3/c1-12-3-2-4-15(19-12)18(22)21-8-7-17-14(9-21)16(20-24-17)11-23-10-13-5-6-13/h2-4,13H,5-11H2,1H3
InChIKeyNKXJMEZVNZUAHL-UHFFFAOYSA-N
XLogP2.50
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone (CID 97405893) is [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCc3onc(COCC4CC4)c3C2)n1.
What is the InChIKey of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is NKXJMEZVNZUAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-3-2-4-15(19-12)18(22)21-8-7-17-14(9-21)16(20-24-17)11-23-10-13-5-6-13/h2-4,13H,5-11H2,1H3.
What are the key properties of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone?
[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 327.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 97405893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).