N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

C18H21N5O3 — CID 46963594

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCC(C)n2nc(C)nc2C)no1
InChIInChI=1S/C18H21N5O3/c1-11(23-13(3)20-12(2)21-23)10-19-18(24)15-9-17(26-22-15)14-7-5-6-8-16(14)25-4/h5-9,11H,10H2,1-4H3,(H,19,24)
InChIKeyNAEJSUHSHIRZSF-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 46963594) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID46963594
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCC(C)n2nc(C)nc2C)no1
InChIInChI=1S/C18H21N5O3/c1-11(23-13(3)20-12(2)21-23)10-19-18(24)15-9-17(26-22-15)14-7-5-6-8-16(14)25-4/h5-9,11H,10H2,1-4H3,(H,19,24)
InChIKeyNAEJSUHSHIRZSF-UHFFFAOYSA-N
XLogP2.55
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide
CID 94809649
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide
CID 48989082
N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 166743704
5-(2-methoxyphenyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42461695
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46474674
5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46417466
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 43843751
5-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 15988743
5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 46417646
N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 94829447
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 37340430

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 46963594) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)NCC(C)n2nc(C)nc2C)no1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NAEJSUHSHIRZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-11(23-13(3)20-12(2)21-23)10-19-18(24)15-9-17(26-22-15)14-7-5-6-8-16(14)25-4/h5-9,11H,10H2,1-4H3,(H,19,24).
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46963594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).