N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide

C25H27N3O3 — CID 42834688

IUPACN-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CC1)c1coc(CN(Cc2cccc(Oc3ccccc3)c2)CC2CC2)n1
InChIInChI=1S/C25H27N3O3/c29-25(26-20-11-12-20)23-17-30-24(27-23)16-28(14-18-9-10-18)15-19-5-4-8-22(13-19)31-21-6-2-1-3-7-21/h1-8,13,17-18,20H,9-12,14-16H2,(H,26,29)
InChIKeyGLEHLIXBIFTKGR-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.77
Rot. Bonds10

About N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide

N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42834688) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID42834688
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CC1)c1coc(CN(Cc2cccc(Oc3ccccc3)c2)CC2CC2)n1
InChIInChI=1S/C25H27N3O3/c29-25(26-20-11-12-20)23-17-30-24(27-23)16-28(14-18-9-10-18)15-19-5-4-8-22(13-19)31-21-6-2-1-3-7-21/h1-8,13,17-18,20H,9-12,14-16H2,(H,26,29)
InChIKeyGLEHLIXBIFTKGR-UHFFFAOYSA-N
XLogP4.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[benzyl-[(3-phenoxyphenyl)methyl]amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 42833545
2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46149162
N-cyclopropyl-2-[[(3-fluorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42833733
N-(2-methoxyethyl)-2-[[(3-phenoxyphenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156712
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(3-phenoxyphenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 129424157
2-[[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 42830812
2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 1195797
2-[[(3-phenoxyphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 93156723
2-[[2-(1H-indol-3-yl)ethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-N-[(1R)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 98309458
2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 810603
N-(1,3-benzodioxol-5-ylmethyl)-2-[[cyclopropylmethyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834702
2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42834726

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 42834688) is N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide is O=C(NC1CC1)c1coc(CN(Cc2cccc(Oc3ccccc3)c2)CC2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is GLEHLIXBIFTKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-25(26-20-11-12-20)23-17-30-24(27-23)16-28(14-18-9-10-18)15-19-5-4-8-22(13-19)31-21-6-2-1-3-7-21/h1-8,13,17-18,20H,9-12,14-16H2,(H,26,29).
What are the key properties of N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[cyclopropylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42834688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).