N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride

C10H13ClF3N3O2 — CID 162689843

IUPACN-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride
SMILESC[C@@H](NC(=O)c1noc2c1CNCC2)C(F)(F)F.Cl
InChIInChI=1S/C10H12F3N3O2.ClH/c1-5(10(11,12)13)15-9(17)8-6-4-14-3-2-7(6)18-16-8;/h5,14H,2-4H2,1H3,(H,15,17);1H/t5-;/m1./s1
InChIKeyJQHANUQOHKYFAF-NUBCRITNSA-N
MW299.68 g/mol
LogP1.42
Rot. Bonds2

About N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride

N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 162689843) has the molecular formula C10H13ClF3N3O2 and a molecular weight of 299.68 g/mol. Its IUPAC name is N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride
PubChem CID162689843
Molecular FormulaC10H13ClF3N3O2
Molecular Weight299.68 g/mol
Exact Mass299.06
IUPAC NameN-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride
SMILESC[C@@H](NC(=O)c1noc2c1CNCC2)C(F)(F)F.Cl
InChIInChI=1S/C10H12F3N3O2.ClH/c1-5(10(11,12)13)15-9(17)8-6-4-14-3-2-7(6)18-16-8;/h5,14H,2-4H2,1H3,(H,15,17);1H/t5-;/m1./s1
InChIKeyJQHANUQOHKYFAF-NUBCRITNSA-N
XLogP1.42
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride
CID 175699189
N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 67463290
N-butan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5079297
5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 155255571
(2S,3S)-3-methyl-2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)pentanoic acid
CID 119194301
N-(1-amino-4,4-dimethyl-2-oxopentan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 145466606
methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
CID 117274239
(2S)-2-phenyl-2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)acetic acid
CID 97310654
tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate
CID 84707922
5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155872314
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 52902738
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 51392315

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 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) is N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride is C[C@@H](NC(=O)c1noc2c1CNCC2)C(F)(F)F.Cl.
What is the InChIKey of N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is JQHANUQOHKYFAF-NUBCRITNSA-N. The full InChI is InChI=1S/C10H12F3N3O2.ClH/c1-5(10(11,12)13)15-9(17)8-6-4-14-3-2-7(6)18-16-8;/h5,14H,2-4H2,1H3,(H,15,17);1H/t5-;/m1./s1.
What are the key properties of N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride?
N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 299.68 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 162689843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).