4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride

C7H10ClN3O2 — CID 175699189

IUPAC4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1noc2c1CNCC2
InChIInChI=1S/C7H9N3O2.ClH/c8-7(11)6-4-3-9-2-1-5(4)12-10-6;/h9H,1-3H2,(H2,8,11);1H
InChIKeyOKCGCCPLRJRDHE-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.16
Rot. Bonds1

About 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride

4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 175699189) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride
PubChem CID175699189
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1noc2c1CNCC2
InChIInChI=1S/C7H9N3O2.ClH/c8-7(11)6-4-3-9-2-1-5(4)12-10-6;/h9H,1-3H2,(H2,8,11);1H
InChIKeyOKCGCCPLRJRDHE-UHFFFAOYSA-N
XLogP-0.16
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride
CID 162689843
N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 67463290
4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
CID 56832020
5-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride
CID 154893340
[1-[methyl(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carbonyl)amino]cyclopropyl]methyl benzoate;hydrochloride
CID 155255345
5-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 70724778
methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
CID 117274239
4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-olate
CID 143323722
tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate
CID 84707922
1-cyclopropyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 69193043
ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-3-carboxylate
CID 84666770
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790355

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride (CID 175699189) is 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride is Cl.NC(=O)c1noc2c1CNCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is OKCGCCPLRJRDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2.ClH/c8-7(11)6-4-3-9-2-1-5(4)12-10-6;/h9H,1-3H2,(H2,8,11);1H.
What are the key properties of 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride?
4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 175699189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).