N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine

C20H22N2O2 — CID 45178099

IUPACN-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
SMILESCc1oc(-c2ccc3ccccc3c2)nc1CN(C)C1CCOC1
InChIInChI=1S/C20H22N2O2/c1-14-19(12-22(2)18-9-10-23-13-18)21-20(24-14)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,18H,9-10,12-13H2,1-2H3
InChIKeyJRDYITCUTFHJPX-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.02
Rot. Bonds4

About N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine

N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine (PubChem CID 45178099) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
PubChem CID45178099
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
SMILESCc1oc(-c2ccc3ccccc3c2)nc1CN(C)C1CCOC1
InChIInChI=1S/C20H22N2O2/c1-14-19(12-22(2)18-9-10-23-13-18)21-20(24-14)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,18H,9-10,12-13H2,1-2H3
InChIKeyJRDYITCUTFHJPX-UHFFFAOYSA-N
XLogP4.02
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine with MolForge

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Related Compounds

N-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine
CID 45249976
methyl 4-[5-methyl-4-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]-1,3-oxazol-2-yl]benzoate
CID 42595758
N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
CID 45191507
N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine
CID 45228461
N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxan-4-amine
CID 26328628
N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine
CID 25307295
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 75468358
N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclohexanamine
CID 26318795
5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
CID 56755977
[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 42567137
3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol
CID 45242244

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine?
The IUPAC name of N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine (CID 45178099) is N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine is Cc1oc(-c2ccc3ccccc3c2)nc1CN(C)C1CCOC1.
What is the InChIKey of N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine?
The InChIKey is JRDYITCUTFHJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-19(12-22(2)18-9-10-23-13-18)21-20(24-14)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,18H,9-10,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine?
N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine has a molecular weight of 322.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 45178099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).