N-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide

C19H21N5O3 — CID 45208021

IUPACN-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)c1cn(CC2CCCO2)nn1
InChIInChI=1S/C19H21N5O3/c1-23(11-16-10-17(21-27-16)14-6-3-2-4-7-14)19(25)18-13-24(22-20-18)12-15-8-5-9-26-15/h2-4,6-7,10,13,15H,5,8-9,11-12H2,1H3
InChIKeyDNZHESYHAOOFLF-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.38
Rot. Bonds6

About N-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide

N-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide (PubChem CID 45208021) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide
PubChem CID45208021
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)c1cn(CC2CCCO2)nn1
InChIInChI=1S/C19H21N5O3/c1-23(11-16-10-17(21-27-16)14-6-3-2-4-7-14)19(25)18-13-24(22-20-18)12-15-8-5-9-26-15/h2-4,6-7,10,13,15H,5,8-9,11-12H2,1H3
InChIKeyDNZHESYHAOOFLF-UHFFFAOYSA-N
XLogP2.38
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide (CID 45208021) is N-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide is CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cn(CC2CCCO2)nn1.
What is the InChIKey of N-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide?
The InChIKey is DNZHESYHAOOFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-23(11-16-10-17(21-27-16)14-6-3-2-4-7-14)19(25)18-13-24(22-20-18)12-15-8-5-9-26-15/h2-4,6-7,10,13,15H,5,8-9,11-12H2,1H3.
What are the key properties of N-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide?
N-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 45208021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).