N,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine

C14H20N4O — CID 97405629

IUPACN,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine
SMILESCN(C)Cc1noc2c1CN(Cc1ccc[nH]1)CC2
InChIInChI=1S/C14H20N4O/c1-17(2)10-13-12-9-18(7-5-14(12)19-16-13)8-11-4-3-6-15-11/h3-4,6,15H,5,7-10H2,1-2H3
InChIKeyLLOLVFVYHTUDRQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.62
Rot. Bonds4

About N,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine

N,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine (PubChem CID 97405629) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine
PubChem CID97405629
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine
SMILESCN(C)Cc1noc2c1CN(Cc1ccc[nH]1)CC2
InChIInChI=1S/C14H20N4O/c1-17(2)10-13-12-9-18(7-5-14(12)19-16-13)8-11-4-3-6-15-11/h3-4,6,15H,5,7-10H2,1-2H3
InChIKeyLLOLVFVYHTUDRQ-UHFFFAOYSA-N
XLogP1.62
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine (CID 97405629) is N,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine is CN(C)Cc1noc2c1CN(Cc1ccc[nH]1)CC2.
What is the InChIKey of N,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine?
The InChIKey is LLOLVFVYHTUDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17(2)10-13-12-9-18(7-5-14(12)19-16-13)8-11-4-3-6-15-11/h3-4,6,15H,5,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine?
N,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(1H-pyrrol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine is sourced from PubChem (CID 97405629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).