N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide

C23H26N2O3S — CID 112823627

IUPACN-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C23H26N2O3S/c26-23(25(16-19-9-5-13-27-19)17-20-10-6-14-29-20)12-4-11-22-24-15-21(28-22)18-7-2-1-3-8-18/h1-3,6-8,10,14-15,19H,4-5,9,11-13,16-17H2
InChIKeyILNMCNUQUZKNMW-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.93
Rot. Bonds9

About N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide

N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 112823627) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID112823627
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C23H26N2O3S/c26-23(25(16-19-9-5-13-27-19)17-20-10-6-14-29-20)12-4-11-22-24-15-21(28-22)18-7-2-1-3-8-18/h1-3,6-8,10,14-15,19H,4-5,9,11-13,16-17H2
InChIKeyILNMCNUQUZKNMW-UHFFFAOYSA-N
XLogP4.93
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide with MolForge

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Related Compounds

4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55773459
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55389254
3-(4-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 87044999
3-(1,3-dioxoisoindol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 9194353
N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 134012194
methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate
CID 95627935
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 45201215
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
3-(3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55567666

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide (CID 112823627) is N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide is O=C(CCCc1ncc(-c2ccccc2)o1)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is ILNMCNUQUZKNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c26-23(25(16-19-9-5-13-27-19)17-20-10-6-14-29-20)12-4-11-22-24-15-21(28-22)18-7-2-1-3-8-18/h1-3,6-8,10,14-15,19H,4-5,9,11-13,16-17H2.
What are the key properties of N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide?
N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 410.54 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 112823627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).