2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide

C18H19N3O2 — CID 3807008

IUPAC2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NCc2cccc3ccccc23)co1
InChIInChI=1S/C18H19N3O2/c1-2-15(19)18-21-16(11-23-18)17(22)20-10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11,15H,2,10,19H2,1H3,(H,20,22)
InChIKeyIPDSVLKAJKIABY-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.17
Rot. Bonds5

About 2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide

2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 3807008) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID3807008
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NCc2cccc3ccccc23)co1
InChIInChI=1S/C18H19N3O2/c1-2-15(19)18-21-16(11-23-18)17(22)20-10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11,15H,2,10,19H2,1H3,(H,20,22)
InChIKeyIPDSVLKAJKIABY-UHFFFAOYSA-N
XLogP3.17
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminopropyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3813364
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3840730
2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3829499
2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3832403
2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3292420
2-(1-amino-2-methylbutyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3271164
2-(1-amino-2-methylpropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3836320
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3807076
2-(1-amino-2-hydroxypropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5018208
benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
CID 3833643
2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3841739
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833207

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide (CID 3807008) is 2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide is CCC(N)c1nc(C(=O)NCc2cccc3ccccc23)co1.
What is the InChIKey of 2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IPDSVLKAJKIABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-15(19)18-21-16(11-23-18)17(22)20-10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11,15H,2,10,19H2,1H3,(H,20,22).
What are the key properties of 2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide?
2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3807008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).