N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide

C22H24N2O4 — CID 118536806

IUPACN-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1COCCO1)c1cc(CCCc2ccc3ccccc3c2)on1
InChIInChI=1S/C22H24N2O4/c25-22(23-14-20-15-26-10-11-27-20)21-13-19(28-24-21)7-3-4-16-8-9-17-5-1-2-6-18(17)12-16/h1-2,5-6,8-9,12-13,20H,3-4,7,10-11,14-15H2,(H,23,25)
InChIKeyJCDGMMBYHGYZCI-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.15
Rot. Bonds7

About N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide

N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 118536806) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID118536806
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1COCCO1)c1cc(CCCc2ccc3ccccc3c2)on1
InChIInChI=1S/C22H24N2O4/c25-22(23-14-20-15-26-10-11-27-20)21-13-19(28-24-21)7-3-4-16-8-9-17-5-1-2-6-18(17)12-16/h1-2,5-6,8-9,12-13,20H,3-4,7,10-11,14-15H2,(H,23,25)
InChIKeyJCDGMMBYHGYZCI-UHFFFAOYSA-N
XLogP3.15
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
6-Carbamoyl-4-[3-(4-fluoro-phenyl)-2-(methyl-{2-[(5-methyl-isoxazole-3-carbonyl)-amino]-3-naphthalen-1-yl-propionyl}-amino)-propionylamino]-hex-2-enoic acid ethyl ester
CID 15547375
6-Carbamoyl-4-[3-(4-fluoro-phenyl)-2-(methyl-{2-[(5-methyl-isoxazole-3-carbonyl)-amino]-3-naphthalen-2-yl-propionyl}-amino)-propionylamino]-hex-2-enoic acid ethyl ester
CID 15547376
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
(2S)-N'-tert-butyl-N-[(2S)-1-[(4-fluoronaphthalen-1-yl)methylamino]-3-methoxy-1-oxopropan-2-yl]-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanediamide
CID 162651511
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962283
5-(4-fluorophenyl)-N-(2-morpholinoethyl)isoxazole-3-carboxamide
CID 3236843
5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)isoxazole-3-carboxamide
CID 3243233
N-isopropyl-3-(5-(4-((tetrahydro-2H-pyran-4-ylamino)methyl)phenyl)isoxazol-3-yl)benzamide
CID 53325496
(2S)-N'-tert-butyl-N-[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanediamide
CID 118234447
(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-N'-[(2-methylpropan-2-yl)oxy]-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]butanediamide
CID 129071859

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide (CID 118536806) is N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide is O=C(NCC1COCCO1)c1cc(CCCc2ccc3ccccc3c2)on1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JCDGMMBYHGYZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-22(23-14-20-15-26-10-11-27-20)21-13-19(28-24-21)7-3-4-16-8-9-17-5-1-2-6-18(17)12-16/h1-2,5-6,8-9,12-13,20H,3-4,7,10-11,14-15H2,(H,23,25).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide?
N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-5-(3-naphthalen-2-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118536806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).