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

C12H17ClN4O — CID 62442297

IUPACN-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Cn2cc(Cl)cn2)on1
InChIInChI=1S/C12H17ClN4O/c1-9(2)4-14-6-11-3-12(18-16-11)8-17-7-10(13)5-15-17/h3,5,7,9,14H,4,6,8H2,1-2H3
InChIKeyJIWAPYCVVPTSDI-UHFFFAOYSA-N
MW268.75 g/mol
LogP2.32
Rot. Bonds6

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

N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62442297) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62442297
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC NameN-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Cn2cc(Cl)cn2)on1
InChIInChI=1S/C12H17ClN4O/c1-9(2)4-14-6-11-3-12(18-16-11)8-17-7-10(13)5-15-17/h3,5,7,9,14H,4,6,8H2,1-2H3
InChIKeyJIWAPYCVVPTSDI-UHFFFAOYSA-N
XLogP2.32
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine with MolForge

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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-(azocan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62419803
N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62449283
2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 55073179
N-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62417450
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62441163
2-methyl-N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62426057
2-methyl-N-[[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62419602
2-methyl-N-[[5-(propan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455406
N-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62771173
2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 55091573
2-methyl-N-[[3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073324

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine (CID 62442297) is N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(Cn2cc(Cl)cn2)on1.
What is the InChIKey of N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is JIWAPYCVVPTSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-9(2)4-14-6-11-3-12(18-16-11)8-17-7-10(13)5-15-17/h3,5,7,9,14H,4,6,8H2,1-2H3.
What are the key properties of N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 268.75 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62442297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).