N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H18N2O3 — CID 3238182

IUPACN-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C18H18N2O3/c1-22-15-9-7-14(8-10-15)16-11-17(23-20-16)18(21)19-12-13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3,(H,19,21)
InChIKeyRSBQFVIWASNLDN-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.50
Rot. Bonds5

About N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3238182) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3238182
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C18H18N2O3/c1-22-15-9-7-14(8-10-15)16-11-17(23-20-16)18(21)19-12-13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3,(H,19,21)
InChIKeyRSBQFVIWASNLDN-UHFFFAOYSA-N
XLogP2.50
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 17095630
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 2399645
[2-(Benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523281
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237052
N-(4-fluorobenzyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237488
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3239086
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3239645
N-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3245926
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 9550382
(2E)-3-(4-ethoxyphenyl)-N-[2-[2-[[(2E)-3-(4-ethoxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldiselanyl]ethyl]-2-hydroxyiminopropanamide
CID 142589382
Hydrocinnamamide, N-benzyl-p-methoxy-
CID 64876

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3238182) is N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)NCc3ccccc3)C2)cc1.
What is the InChIKey of N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is RSBQFVIWASNLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-15-9-7-14(8-10-15)16-11-17(23-20-16)18(21)19-12-13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3,(H,19,21).
What are the key properties of N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3238182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).