N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C16H18N4O3S — CID 29259305

IUPACN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(C)c1cc(CNC(=O)CCc2nnc(-c3ccsc3)o2)on1
InChIInChI=1S/C16H18N4O3S/c1-10(2)13-7-12(23-20-13)8-17-14(21)3-4-15-18-19-16(22-15)11-5-6-24-9-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,21)
InChIKeyBIAYQPFZELPPNB-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.16
Rot. Bonds7

About N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 29259305) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID29259305
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(C)c1cc(CNC(=O)CCc2nnc(-c3ccsc3)o2)on1
InChIInChI=1S/C16H18N4O3S/c1-10(2)13-7-12(23-20-13)8-17-14(21)3-4-15-18-19-16(22-15)11-5-6-24-9-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,21)
InChIKeyBIAYQPFZELPPNB-UHFFFAOYSA-N
XLogP3.16
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 29259305) is N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CC(C)c1cc(CNC(=O)CCc2nnc(-c3ccsc3)o2)on1.
What is the InChIKey of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is BIAYQPFZELPPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-10(2)13-7-12(23-20-13)8-17-14(21)3-4-15-18-19-16(22-15)11-5-6-24-9-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,21).
What are the key properties of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 346.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 29259305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).