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

C17H21N3O4 — CID 97405900

IUPAC[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCc2onc(COCC3CC3)c2C1
InChIInChI=1S/C17H21N3O4/c1-10-16(11(2)23-18-10)17(21)20-6-5-15-13(7-20)14(19-24-15)9-22-8-12-3-4-12/h12H,3-9H2,1-2H3
InChIKeyFLLNZJMSYZZKDP-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.40
Rot. Bonds5

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

[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 97405900) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID97405900
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCc2onc(COCC3CC3)c2C1
InChIInChI=1S/C17H21N3O4/c1-10-16(11(2)23-18-10)17(21)20-6-5-15-13(7-20)14(19-24-15)9-22-8-12-3-4-12/h12H,3-9H2,1-2H3
InChIKeyFLLNZJMSYZZKDP-UHFFFAOYSA-N
XLogP2.40
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone with MolForge

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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]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 97405900) is [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1CCc2onc(COCC3CC3)c2C1.
What is the InChIKey of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is FLLNZJMSYZZKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10-16(11(2)23-18-10)17(21)20-6-5-15-13(7-20)14(19-24-15)9-22-8-12-3-4-12/h12H,3-9H2,1-2H3.
What are the key properties of [3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 331.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 97405900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).