1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine

C13H18N4O — CID 77084760

IUPAC1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCN(Cc1cc(C2CC2)on1)Cc1cncn1C
InChIInChI=1S/C13H18N4O/c1-16(8-12-6-14-9-17(12)2)7-11-5-13(18-15-11)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyURHKDDYNJCRICO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.92
Rot. Bonds5

About 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine

1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine (PubChem CID 77084760) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine
PubChem CID77084760
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCN(Cc1cc(C2CC2)on1)Cc1cncn1C
InChIInChI=1S/C13H18N4O/c1-16(8-12-6-14-9-17(12)2)7-11-5-13(18-15-11)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyURHKDDYNJCRICO-UHFFFAOYSA-N
XLogP1.92
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 5309956
5-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propyl-3-isoxazolecarboxamide
CID 70777484
(5-Cyclopropyl-1,2-oxazol-3-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 72044150
(5-Cyclopropyl-1,2-oxazol-3-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 72143160
5-{1-[(5-isobutylisoxazol-3-yl)methyl]-1H-1,2,3-triazol-4-yl}pyrimidine
CID 72848233
4-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride
CID 162665308
[2-(1H-imidazol-1-yl)ethyl]methyl(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylmethyl)amine bis(trifluoroacetate)
CID 28222259
1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-(1H-imidazol-1-ylmethyl)piperidine
CID 28785551
3-[[4-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 56810202
2-ethyl-4-{1-[(3-ethylisoxazol-5-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56861858
N-[(5-cyclopropylisoxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56880668
N-[(5-isobutyl-3-isoxazolyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 56903047

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine (CID 77084760) is 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine is CN(Cc1cc(C2CC2)on1)Cc1cncn1C.
What is the InChIKey of 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The InChIKey is URHKDDYNJCRICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16(8-12-6-14-9-17(12)2)7-11-5-13(18-15-11)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine?
1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methyl-N-[(3-methylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 77084760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).