N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C16H19N3O3 — CID 53497816

IUPACN-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)N(CC3CCOC3)C3CC3)cc12
InChIInChI=1S/C16H19N3O3/c1-10-14-6-12(7-17-15(14)22-18-10)16(20)19(13-2-3-13)8-11-4-5-21-9-11/h6-7,11,13H,2-5,8-9H2,1H3
InChIKeyWQRRCOHFFNTMDY-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.17
Rot. Bonds4

About N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 53497816) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID53497816
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)N(CC3CCOC3)C3CC3)cc12
InChIInChI=1S/C16H19N3O3/c1-10-14-6-12(7-17-15(14)22-18-10)16(20)19(13-2-3-13)8-11-4-5-21-9-11/h6-7,11,13H,2-5,8-9H2,1H3
InChIKeyWQRRCOHFFNTMDY-UHFFFAOYSA-N
XLogP2.17
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 53497816) is N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is Cc1noc2ncc(C(=O)N(CC3CCOC3)C3CC3)cc12.
What is the InChIKey of N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is WQRRCOHFFNTMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-14-6-12(7-17-15(14)22-18-10)16(20)19(13-2-3-13)8-11-4-5-21-9-11/h6-7,11,13H,2-5,8-9H2,1H3.
What are the key properties of N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 53497816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).