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

C14H17N3O — CID 83870694

IUPAC5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine
SMILESCNc1onc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C14H17N3O/c1-15-14-12-10-17(8-7-13(12)16-18-14)9-11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3
InChIKeyUKCGTRXDLVHJFA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.27
Rot. Bonds3

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

5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine (PubChem CID 83870694) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine
PubChem CID83870694
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine
SMILESCNc1onc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C14H17N3O/c1-15-14-12-10-17(8-7-13(12)16-18-14)9-11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3
InChIKeyUKCGTRXDLVHJFA-UHFFFAOYSA-N
XLogP2.27
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.27
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-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 83850276
6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 59447643
2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine
CID 83870641
6-benzyl-2-chloro-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 42870418
5-benzyl-3-isocyanato-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 83920308
6-benzyl-4-N,4-N-diethyl-2-N,2-N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 91800555
6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 81217160
6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46952503
2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
CID 121370928
5-benzyl-N-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 62942181
6-benzyl-2-(3,5-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine
CID 122460623

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine (CID 83870694) is 5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine is CNc1onc2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine?
The InChIKey is UKCGTRXDLVHJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-15-14-12-10-17(8-7-13(12)16-18-14)9-11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3.
What are the key properties of 5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine?
5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine has a molecular weight of 243.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 83870694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).