N-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide

C13H15N5O3 — CID 108507475

IUPACN-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C13H15N5O3/c1-21-10-4-2-9(3-5-10)6-7-14-11(19)12(20)17-13-15-8-16-18-13/h2-5,8H,6-7H2,1H3,(H,14,19)(H2,15,16,17,18,20)
InChIKeyMSLOFUSEJROPPU-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.11
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide

N-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide (PubChem CID 108507475) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide
PubChem CID108507475
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C13H15N5O3/c1-21-10-4-2-9(3-5-10)6-7-14-11(19)12(20)17-13-15-8-16-18-13/h2-5,8H,6-7H2,1H3,(H,14,19)(H2,15,16,17,18,20)
InChIKeyMSLOFUSEJROPPU-UHFFFAOYSA-N
XLogP0.11
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
N'-(2,2-dimethoxyethyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44997779
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213433
N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 2272217
N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585293
N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108507482
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108840848
N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219
N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51048872
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 44998127
N'-(2-chloro-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 121478703

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide (CID 108507475) is N-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The InChIKey is MSLOFUSEJROPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-21-10-4-2-9(3-5-10)6-7-14-11(19)12(20)17-13-15-8-16-18-13/h2-5,8H,6-7H2,1H3,(H,14,19)(H2,15,16,17,18,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide?
N-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide has a molecular weight of 289.30 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide is sourced from PubChem (CID 108507475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).