5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine

C13H15N3O — CID 83850276

IUPAC5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESNc1noc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C13H15N3O/c14-13-11-9-16(7-6-12(11)17-15-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15)
InChIKeyCBRTUKXBVIHKGP-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.82
Rot. Bonds2

About 5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine

5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 83850276) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound Name5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
PubChem CID83850276
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESNc1noc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C13H15N3O/c14-13-11-9-16(7-6-12(11)17-15-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15)
InChIKeyCBRTUKXBVIHKGP-UHFFFAOYSA-N
XLogP1.82
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine
CID 83870732
5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine
CID 83870694
2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine
CID 83870641
3-phenyl-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 25372194
1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
CID 139357568
4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 56749369
5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine
CID 83850274
3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol
CID 56750844
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 92770480
4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 83870664
6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 59447643

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The IUPAC name of 5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 83850276) is 5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine.
What is the SMILES notation for 5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for 5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is Nc1noc2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The InChIKey is CBRTUKXBVIHKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-13-11-9-16(7-6-12(11)17-15-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15).
What are the key properties of 5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 229.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 83850276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).