2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine

C20H27N7O2 — CID 59457494

IUPAC2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine
SMILESCC1CCCN1CCCOc1ccc(-c2nc(CNc3nnn(C)n3)co2)cc1
InChIInChI=1S/C20H27N7O2/c1-15-5-3-10-27(15)11-4-12-28-18-8-6-16(7-9-18)19-22-17(14-29-19)13-21-20-23-25-26(2)24-20/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,21,24)
InChIKeyDQRNZHILJYYHDA-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.73
Rot. Bonds9

About 2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine

2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine (PubChem CID 59457494) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine
PubChem CID59457494
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine
SMILESCC1CCCN1CCCOc1ccc(-c2nc(CNc3nnn(C)n3)co2)cc1
InChIInChI=1S/C20H27N7O2/c1-15-5-3-10-27(15)11-4-12-28-18-8-6-16(7-9-18)19-22-17(14-29-19)13-21-20-23-25-26(2)24-20/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,21,24)
InChIKeyDQRNZHILJYYHDA-UHFFFAOYSA-N
XLogP2.73
TPSA94.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(2-methylpiperidin-1-yl)butoxy]phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 11857748
2-[4-(3-chloropropoxy)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 59457498
4-[(4,4-difluoropiperidin-1-yl)methyl]-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazole
CID 68503058
[4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone
CID 11858136
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684
1-piperidin-1-yl-2-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone
CID 11857828
2-(4-butoxyphenyl)-5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-1,3-oxazole
CID 58951495
3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine
CID 143841531
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81496163

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine?
The IUPAC name of 2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine (CID 59457494) is 2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine.
What is the SMILES notation for 2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine?
The canonical SMILES for 2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine is CC1CCCN1CCCOc1ccc(-c2nc(CNc3nnn(C)n3)co2)cc1.
What is the InChIKey of 2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine?
The InChIKey is DQRNZHILJYYHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-15-5-3-10-27(15)11-4-12-28-18-8-6-16(7-9-18)19-22-17(14-29-19)13-21-20-23-25-26(2)24-20/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,21,24).
What are the key properties of 2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine?
2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine has a molecular weight of 397.48 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-4-yl]methyl]tetrazol-5-amine is sourced from PubChem (CID 59457494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).