N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide

C14H20N6O3 — CID 138383795

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)c1cc(N2CCOCC2)no1
InChIInChI=1S/C14H20N6O3/c1-3-20-13(15-9-16-20)10(2)17-14(21)11-8-12(18-23-11)19-4-6-22-7-5-19/h8-10H,3-7H2,1-2H3,(H,17,21)
InChIKeyOFTJBBJFXVRWAV-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.61
Rot. Bonds5

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide (PubChem CID 138383795) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide
PubChem CID138383795
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)c1cc(N2CCOCC2)no1
InChIInChI=1S/C14H20N6O3/c1-3-20-13(15-9-16-20)10(2)17-14(21)11-8-12(18-23-11)19-4-6-22-7-5-19/h8-10H,3-7H2,1-2H3,(H,17,21)
InChIKeyOFTJBBJFXVRWAV-UHFFFAOYSA-N
XLogP0.61
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 122570314
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CID 125437669
4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 95148939
5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95189961
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 70759937
4-chloro-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448965
1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea
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6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide
CID 124749178
4-chloro-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448966
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 118777952
3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 138384779
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 125435125

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide (CID 138383795) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide is CCn1ncnc1C(C)NC(=O)c1cc(N2CCOCC2)no1.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide?
The InChIKey is OFTJBBJFXVRWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-3-20-13(15-9-16-20)10(2)17-14(21)11-8-12(18-23-11)19-4-6-22-7-5-19/h8-10H,3-7H2,1-2H3,(H,17,21).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 138383795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).