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

C16H18N4O — CID 61240789

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
SMILESCc1noc(C)c1CNCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C16H18N4O/c1-11-15(12(2)21-20-11)10-17-9-13-3-5-14(6-4-13)16-7-8-18-19-16/h3-8,17H,9-10H2,1-2H3,(H,18,19)
InChIKeyBYPLHTXYESYMGX-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.97
Rot. Bonds5

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine (PubChem CID 61240789) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
PubChem CID61240789
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
SMILESCc1noc(C)c1CNCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C16H18N4O/c1-11-15(12(2)21-20-11)10-17-9-13-3-5-14(6-4-13)16-7-8-18-19-16/h3-8,17H,9-10H2,1-2H3,(H,18,19)
InChIKeyBYPLHTXYESYMGX-UHFFFAOYSA-N
XLogP2.97
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine with MolForge

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437907
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine
CID 61241369
N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 66414199
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911385
1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 115579772
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563
2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine
CID 63696732
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 79235965
2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline
CID 66418255
5-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 61241953
5-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]furan-2-carbonitrile
CID 115653945
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine (CID 61240789) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine is Cc1noc(C)c1CNCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine?
The InChIKey is BYPLHTXYESYMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-15(12(2)21-20-11)10-17-9-13-3-5-14(6-4-13)16-7-8-18-19-16/h3-8,17H,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine has a molecular weight of 282.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 61240789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).