N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine

C18H22N4O — CID 56721816

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine
SMILESCc1cccc(-n2cc(CN(C)Cc3c(C)noc3C)cn2)c1
InChIInChI=1S/C18H22N4O/c1-13-6-5-7-17(8-13)22-11-16(9-19-22)10-21(4)12-18-14(2)20-23-15(18)3/h5-9,11H,10,12H2,1-4H3
InChIKeyCXVCTBDZMXFHQL-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.42
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine (PubChem CID 56721816) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine
PubChem CID56721816
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine
SMILESCc1cccc(-n2cc(CN(C)Cc3c(C)noc3C)cn2)c1
InChIInChI=1S/C18H22N4O/c1-13-6-5-7-17(8-13)22-11-16(9-19-22)10-21(4)12-18-14(2)20-23-15(18)3/h5-9,11H,10,12H2,1-4H3
InChIKeyCXVCTBDZMXFHQL-UHFFFAOYSA-N
XLogP3.42
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 112727546
1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
CID 56897462
2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide
CID 91835564
2-[1-(3-methylphenyl)pyrazol-4-yl]acetic acid
CID 83887006
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 47006556
1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 28663771
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 60589279
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 171328140
3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-methyl-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]urea
CID 46998800
(2S)-2-[[methyl-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 126434923
N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91778052
N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416541

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine (CID 56721816) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine is Cc1cccc(-n2cc(CN(C)Cc3c(C)noc3C)cn2)c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine?
The InChIKey is CXVCTBDZMXFHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-6-5-7-17(8-13)22-11-16(9-19-22)10-21(4)12-18-14(2)20-23-15(18)3/h5-9,11H,10,12H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine has a molecular weight of 310.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 56721816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).