N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine

C13H20N4O — CID 74238401

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine
SMILESCc1cnc(CN(C)Cc2coc(C(C)C)n2)[nH]1
InChIInChI=1S/C13H20N4O/c1-9(2)13-16-11(8-18-13)6-17(4)7-12-14-5-10(3)15-12/h5,8-9H,6-7H2,1-4H3,(H,14,15)
InChIKeyFNDNDURPHCRLCH-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.46
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine (PubChem CID 74238401) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine
PubChem CID74238401
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine
SMILESCc1cnc(CN(C)Cc2coc(C(C)C)n2)[nH]1
InChIInChI=1S/C13H20N4O/c1-9(2)13-16-11(8-18-13)6-17(4)7-12-14-5-10(3)15-12/h5,8-9H,6-7H2,1-4H3,(H,14,15)
InChIKeyFNDNDURPHCRLCH-UHFFFAOYSA-N
XLogP2.46
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine
CID 71694306
4-{2-[2-(2-isopropyl-1,3-oxazol-4-yl)-1H-imidazol-1-yl]ethyl}morpholine
CID 56745426
2-{[(2-isopropyl-1,3-oxazol-4-yl)methyl][(1-methyl-1H-imidazol-2-yl)methyl]amino}ethanol
CID 91777683
4-(1H-imidazol-2-yl)-1,3-oxazole
CID 53631425
2-Methyl-4-(1-methylimidazol-2-yl)-1,3-oxazole
CID 58646232
4-(1H-imidazol-2-yl)-2-methyl-1,3-oxazole
CID 70194517
2-(1,3-oxazol-4-yl)-1H-imidazole-5-carbaldehyde
CID 88053761
2-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(1,3-oxazol-2-yl)-2H-pyrazin-5-amine
CID 121351502
N-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazol-2-amine
CID 122693177
4-(5-ethyl-1H-imidazol-2-yl)-N-methyl-1,3-oxazol-2-amine
CID 122695703
2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole
CID 126493145
2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole
CID 126495844

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine (CID 74238401) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine is Cc1cnc(CN(C)Cc2coc(C(C)C)n2)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine?
The InChIKey is FNDNDURPHCRLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)13-16-11(8-18-13)6-17(4)7-12-14-5-10(3)15-12/h5,8-9H,6-7H2,1-4H3,(H,14,15).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine has a molecular weight of 248.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2-propan-2-yl-1,3-oxazol-4-yl)methanamine is sourced from PubChem (CID 74238401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).