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

C16H20N4O — CID 136559965

IUPAC1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCc1ccc(C2=NOC(CNCc3cnn(C)c3)C2)cc1
InChIInChI=1S/C16H20N4O/c1-12-3-5-14(6-4-12)16-7-15(21-19-16)10-17-8-13-9-18-20(2)11-13/h3-6,9,11,15,17H,7-8,10H2,1-2H3
InChIKeyMIICDVIEMRUNJI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.01
Rot. Bonds5

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

1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 136559965) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID136559965
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCc1ccc(C2=NOC(CNCc3cnn(C)c3)C2)cc1
InChIInChI=1S/C16H20N4O/c1-12-3-5-14(6-4-12)16-7-15(21-19-16)10-17-8-13-9-18-20(2)11-13/h3-6,9,11,15,17H,7-8,10H2,1-2H3
InChIKeyMIICDVIEMRUNJI-UHFFFAOYSA-N
XLogP2.01
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 154769536
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54895787
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898
1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea
CID 119051656
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80709626
1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175
tert-butyl N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
CID 124709444
1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 75367340
N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855406
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 61034800
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 136559965) is 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine is Cc1ccc(C2=NOC(CNCc3cnn(C)c3)C2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is MIICDVIEMRUNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-3-5-14(6-4-12)16-7-15(21-19-16)10-17-8-13-9-18-20(2)11-13/h3-6,9,11,15,17H,7-8,10H2,1-2H3.
What are the key properties of 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 284.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 136559965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).