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

C21H20N2O — CID 25307295

IUPACN-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine
SMILESC#CCN(CC=C)Cc1nc(-c2ccc3ccccc3c2)oc1C
InChIInChI=1S/C21H20N2O/c1-4-12-23(13-5-2)15-20-16(3)24-21(22-20)19-11-10-17-8-6-7-9-18(17)14-19/h1,5-11,14H,2,12-13,15H2,3H3
InChIKeyZHXLHPKEBLGUQW-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.42
Rot. Bonds6

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

N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine (PubChem CID 25307295) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine
PubChem CID25307295
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine
SMILESC#CCN(CC=C)Cc1nc(-c2ccc3ccccc3c2)oc1C
InChIInChI=1S/C21H20N2O/c1-4-12-23(13-5-2)15-20-16(3)24-21(22-20)19-11-10-17-8-6-7-9-18(17)14-19/h1,5-11,14H,2,12-13,15H2,3H3
InChIKeyZHXLHPKEBLGUQW-UHFFFAOYSA-N
XLogP4.42
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
CID 45178099
N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 26396145
5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
CID 56755977
N-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 42384814
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
CID 91508393
ethane;2-naphthalen-2-ylnaphthalene;bis(prop-1-ene)
CID 144938631
[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 42567137
N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine
CID 10446658
N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 29259208
2-[[3-[2-[2-[6-(diethylamino)-3-pyridinyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-prop-2-enylamino]acetic acid
CID 10277376
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
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-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine?
The IUPAC name of N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine (CID 25307295) is N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine.
What is the SMILES notation for N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine?
The canonical SMILES for N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine is C#CCN(CC=C)Cc1nc(-c2ccc3ccccc3c2)oc1C.
What is the InChIKey of N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine?
The InChIKey is ZHXLHPKEBLGUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-4-12-23(13-5-2)15-20-16(3)24-21(22-20)19-11-10-17-8-6-7-9-18(17)14-19/h1,5-11,14H,2,12-13,15H2,3H3.
What are the key properties of N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine?
N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine has a molecular weight of 316.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]-N-prop-2-ynylprop-2-en-1-amine is sourced from PubChem (CID 25307295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).