N-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide

C29H29N3O3 — CID 70197733

IUPACN-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2Cc2ccc(OCCN3CCCC3)cc2)cc1)c1ccon1
InChIInChI=1S/C29H29N3O3/c33-29(28-15-19-35-31-28)30-25-11-9-23(10-12-25)27-6-2-1-5-24(27)21-22-7-13-26(14-8-22)34-20-18-32-16-3-4-17-32/h1-2,5-15,19H,3-4,16-18,20-21H2,(H,30,33)
InChIKeyFRDXNLNIAHWSID-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.66
Rot. Bonds9

About N-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide

N-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 70197733) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID70197733
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC NameN-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2Cc2ccc(OCCN3CCCC3)cc2)cc1)c1ccon1
InChIInChI=1S/C29H29N3O3/c33-29(28-15-19-35-31-28)30-25-11-9-23(10-12-25)27-6-2-1-5-24(27)21-22-7-13-26(14-8-22)34-20-18-32-16-3-4-17-32/h1-2,5-15,19H,3-4,16-18,20-21H2,(H,30,33)
InChIKeyFRDXNLNIAHWSID-UHFFFAOYSA-N
XLogP5.66
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]ethylamino]methyl]benzoate
CID 70280588
tert-butyl N-[1-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenoxy]propan-2-yl]carbamate
CID 70195066
2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid
CID 63745197
N-[2-amino-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 70206920
3-methyl-N-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-1,2-oxazole-5-carboxamide
CID 59590011
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-(2-chlorophenyl)cyclopentane-1-carboxamide
CID 100666686
2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 166366369
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-phenylcyclohexane-1-carboxamide
CID 100669515
4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide
CID 166090293
[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone
CID 10840369
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2,2,2-trichloroacetamide
CID 100689409
1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide
CID 35535566

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide (CID 70197733) is N-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(-c2ccccc2Cc2ccc(OCCN3CCCC3)cc2)cc1)c1ccon1.
What is the InChIKey of N-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FRDXNLNIAHWSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c33-29(28-15-19-35-31-28)30-25-11-9-23(10-12-25)27-6-2-1-5-24(27)21-22-7-13-26(14-8-22)34-20-18-32-16-3-4-17-32/h1-2,5-15,19H,3-4,16-18,20-21H2,(H,30,33).
What are the key properties of N-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide?
N-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70197733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).