N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

C13H18N4O — CID 79145001

IUPACN-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCCc1cc(-c2ocnc2CNC2CC2)n(C)n1
InChIInChI=1S/C13H18N4O/c1-3-9-6-12(17(2)16-9)13-11(15-8-18-13)7-14-10-4-5-10/h6,8,10,14H,3-5,7H2,1-2H3
InChIKeyXVIOCMOQJUOCJA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.89
Rot. Bonds5

About N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 79145001) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID79145001
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCCc1cc(-c2ocnc2CNC2CC2)n(C)n1
InChIInChI=1S/C13H18N4O/c1-3-9-6-12(17(2)16-9)13-11(15-8-18-13)7-14-10-4-5-10/h6,8,10,14H,3-5,7H2,1-2H3
InChIKeyXVIOCMOQJUOCJA-UHFFFAOYSA-N
XLogP1.89
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 16676001
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 46959425
2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
CID 142604697
Methyl 5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 156360255
5-(2-Cyclopropylpyrazol-3-yl)-4-methyl-1,3-oxazole
CID 156370227
5-(1,5-Dimethylpyrazol-3-yl)-1,3-oxazole-4-carbaldehyde
CID 156373943
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 8060682
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 8076139
N-[2-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182010
N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184203
[5-(1,3-Diethylpyrazol-5-yl)-1,3-oxazol-2-yl]methanamine
CID 66119658
1-[5-(1,3-Diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine
CID 66119659

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 79145001) is N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is CCc1cc(-c2ocnc2CNC2CC2)n(C)n1.
What is the InChIKey of N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is XVIOCMOQJUOCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-9-6-12(17(2)16-9)13-11(15-8-18-13)7-14-10-4-5-10/h6,8,10,14H,3-5,7H2,1-2H3.
What are the key properties of N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 246.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79145001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).