N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine

C16H25N5O — CID 97405638

IUPACN-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine
SMILESCC(C)N(C)Cc1noc2c1CN(Cc1cncn1C)CC2
InChIInChI=1S/C16H25N5O/c1-12(2)19(3)10-15-14-9-21(6-5-16(14)22-18-15)8-13-7-17-11-20(13)4/h7,11-12H,5-6,8-10H2,1-4H3
InChIKeyCQVFYTUQTSVFCQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.81
Rot. Bonds5

About N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine

N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine (PubChem CID 97405638) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine
PubChem CID97405638
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine
SMILESCC(C)N(C)Cc1noc2c1CN(Cc1cncn1C)CC2
InChIInChI=1S/C16H25N5O/c1-12(2)19(3)10-15-14-9-21(6-5-16(14)22-18-15)8-13-7-17-11-20(13)4/h7,11-12H,5-6,8-10H2,1-4H3
InChIKeyCQVFYTUQTSVFCQ-UHFFFAOYSA-N
XLogP1.81
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine (CID 97405638) is N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine is CC(C)N(C)Cc1noc2c1CN(Cc1cncn1C)CC2.
What is the InChIKey of N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine?
The InChIKey is CQVFYTUQTSVFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-12(2)19(3)10-15-14-9-21(6-5-16(14)22-18-15)8-13-7-17-11-20(13)4/h7,11-12H,5-6,8-10H2,1-4H3.
What are the key properties of N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine?
N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine has a molecular weight of 303.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[(3-methylimidazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 97405638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).