2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide

C27H32N4O3 — CID 52710834

IUPAC2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCCN(C(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1
InChIInChI=1S/C27H32N4O3/c1-2-28-23(32)20-30-16-9-17-31(19-18-30)25(33)15-14-24-29-26(21-10-5-3-6-11-21)27(34-24)22-12-7-4-8-13-22/h3-8,10-13H,2,9,14-20H2,1H3,(H,28,32)
InChIKeyUTEBQKCNBAFREZ-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.61
Rot. Bonds8

About 2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide

2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide (PubChem CID 52710834) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide
PubChem CID52710834
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCCN(C(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1
InChIInChI=1S/C27H32N4O3/c1-2-28-23(32)20-30-16-9-17-31(19-18-30)25(33)15-14-24-29-26(21-10-5-3-6-11-21)27(34-24)22-12-7-4-8-13-22/h3-8,10-13H,2,9,14-20H2,1H3,(H,28,32)
InChIKeyUTEBQKCNBAFREZ-UHFFFAOYSA-N
XLogP3.61
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18293107
N-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]piperidin-4-yl]benzamide
CID 43040254
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 18271632
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 30534634
2-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide
CID 55566501
2-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide
CID 55621527
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 46493556
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 35418573
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 86966390
N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide
CID 55567246
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide (CID 52710834) is 2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCCN(C(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide?
The InChIKey is UTEBQKCNBAFREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-2-28-23(32)20-30-16-9-17-31(19-18-30)25(33)15-14-24-29-26(21-10-5-3-6-11-21)27(34-24)22-12-7-4-8-13-22/h3-8,10-13H,2,9,14-20H2,1H3,(H,28,32).
What are the key properties of 2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide?
2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide has a molecular weight of 460.58 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide is sourced from PubChem (CID 52710834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).