N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide

C14H18N6O3 — CID 112528634

IUPACN-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESCc1noc(C)c1CNC(=O)Cn1cc(NC(=O)C2CC2)nn1
InChIInChI=1S/C14H18N6O3/c1-8-11(9(2)23-18-8)5-15-13(21)7-20-6-12(17-19-20)16-14(22)10-3-4-10/h6,10H,3-5,7H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyFDVPVHAEAOGIEL-UHFFFAOYSA-N
MW318.34 g/mol
LogP0.55
Rot. Bonds6

About N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide

N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide (PubChem CID 112528634) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
PubChem CID112528634
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC NameN-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESCc1noc(C)c1CNC(=O)Cn1cc(NC(=O)C2CC2)nn1
InChIInChI=1S/C14H18N6O3/c1-8-11(9(2)23-18-8)5-15-13(21)7-20-6-12(17-19-20)16-14(22)10-3-4-10/h6,10H,3-5,7H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyFDVPVHAEAOGIEL-UHFFFAOYSA-N
XLogP0.55
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112529878
N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112528702
N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521085
N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525391
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide
CID 112528606
N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112525290
N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112529265
N-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520335
cis-(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092556
N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112519965
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]cyclohexanecarboxamide
CID 57422291
2-(4-acetamidotriazol-1-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 112522503

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide (CID 112528634) is N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide is Cc1noc(C)c1CNC(=O)Cn1cc(NC(=O)C2CC2)nn1.
What is the InChIKey of N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The InChIKey is FDVPVHAEAOGIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-8-11(9(2)23-18-8)5-15-13(21)7-20-6-12(17-19-20)16-14(22)10-3-4-10/h6,10H,3-5,7H2,1-2H3,(H,15,21)(H,16,22).
What are the key properties of N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide has a molecular weight of 318.34 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 112528634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).