N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide

C23H25N3O3S — CID 10238050

IUPACN-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCc1ccc(-c2nc(C(=O)N3CCCCCC3)co2)cc1
InChIInChI=1S/C23H25N3O3S/c27-21(13-18-9-12-30-16-18)24-14-17-5-7-19(8-6-17)22-25-20(15-29-22)23(28)26-10-3-1-2-4-11-26/h5-9,12,15-16H,1-4,10-11,13-14H2,(H,24,27)
InChIKeyKUMNHKXHLSGQHF-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.28
Rot. Bonds6

About N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide

N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 10238050) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide
PubChem CID10238050
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCc1ccc(-c2nc(C(=O)N3CCCCCC3)co2)cc1
InChIInChI=1S/C23H25N3O3S/c27-21(13-18-9-12-30-16-18)24-14-17-5-7-19(8-6-17)22-25-20(15-29-22)23(28)26-10-3-1-2-4-11-26/h5-9,12,15-16H,1-4,10-11,13-14H2,(H,24,27)
InChIKeyKUMNHKXHLSGQHF-UHFFFAOYSA-N
XLogP4.28
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide with MolForge

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Related Compounds

2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
CID 10127230
3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
CID 10238837
2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10127481
2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111590562
[2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 25204503
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3857403
N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide
CID 17425313
ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 46896218
N-(thiophen-3-ylmethyl)azetidine-1-carboxamide
CID 130650634
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
N-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 121110475

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide (CID 10238050) is N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCc1ccc(-c2nc(C(=O)N3CCCCCC3)co2)cc1.
What is the InChIKey of N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is KUMNHKXHLSGQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-21(13-18-9-12-30-16-18)24-14-17-5-7-19(8-6-17)22-25-20(15-29-22)23(28)26-10-3-1-2-4-11-26/h5-9,12,15-16H,1-4,10-11,13-14H2,(H,24,27).
What are the key properties of N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide?
N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 423.54 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 10238050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).