N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

C12H18N4O — CID 62449283

IUPACN-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCc1cnn(Cc2cc(CNC(C)C)no2)c1
InChIInChI=1S/C12H18N4O/c1-9(2)13-6-11-4-12(17-15-11)8-16-7-10(3)5-14-16/h4-5,7,9,13H,6,8H2,1-3H3
InChIKeyZGOHRKXOXCZJMO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.73
Rot. Bonds5

About N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 62449283) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID62449283
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCc1cnn(Cc2cc(CNC(C)C)no2)c1
InChIInChI=1S/C12H18N4O/c1-9(2)13-6-11-4-12(17-15-11)8-16-7-10(3)5-14-16/h4-5,7,9,13H,6,8H2,1-3H3
InChIKeyZGOHRKXOXCZJMO-UHFFFAOYSA-N
XLogP1.73
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62446699
N-[[5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62437894
N-[[5-[(4-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557782
N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62442297
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 114540107
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55072648
N-[[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62438242
5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63579229
N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55074054
N-(3-hydroxybutyl)-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 109476379
N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 107456506
2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 55073179

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 62449283) is N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is Cc1cnn(Cc2cc(CNC(C)C)no2)c1.
What is the InChIKey of N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is ZGOHRKXOXCZJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(2)13-6-11-4-12(17-15-11)8-16-7-10(3)5-14-16/h4-5,7,9,13H,6,8H2,1-3H3.
What are the key properties of N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 234.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62449283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).