N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide

C19H24N2O4 — CID 90503720

IUPACN-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESCCOCCCNC(=O)C1(c2cc(-c3cccc(OC)c3)on2)CC1
InChIInChI=1S/C19H24N2O4/c1-3-24-11-5-10-20-18(22)19(8-9-19)17-13-16(25-21-17)14-6-4-7-15(12-14)23-2/h4,6-7,12-13H,3,5,8-11H2,1-2H3,(H,20,22)
InChIKeyFHILZJLHDMGHMA-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.92
Rot. Bonds9

About N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide

N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 90503720) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
PubChem CID90503720
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESCCOCCCNC(=O)C1(c2cc(-c3cccc(OC)c3)on2)CC1
InChIInChI=1S/C19H24N2O4/c1-3-24-11-5-10-20-18(22)19(8-9-19)17-13-16(25-21-17)14-6-4-7-15(12-14)23-2/h4,6-7,12-13H,3,5,8-11H2,1-2H3,(H,20,22)
InChIKeyFHILZJLHDMGHMA-UHFFFAOYSA-N
XLogP2.92
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 90503716
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 90503710
N-cyclohexyl-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503730
butyl 4-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]benzoate
CID 90503799
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 90503650
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-oxothiolan-3-yl)cyclopropane-1-carboxamide
CID 90503904
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 90503788
1-[4-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 90503872
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 90504059
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropane-1-carboxamide
CID 90503926
ethyl 2-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 90503918
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-octylcyclopropane-1-carboxamide
CID 90502974

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (CID 90503720) is N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is CCOCCCNC(=O)C1(c2cc(-c3cccc(OC)c3)on2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is FHILZJLHDMGHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-24-11-5-10-20-18(22)19(8-9-19)17-13-16(25-21-17)14-6-4-7-15(12-14)23-2/h4,6-7,12-13H,3,5,8-11H2,1-2H3,(H,20,22).
What are the key properties of N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90503720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).