2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

C16H15ClN4O3 — CID 97333346

IUPAC2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESC[C@@H](NCC(=O)Nc1nnc(-c2ccco2)o1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN4O3/c1-10(11-4-2-5-12(17)8-11)18-9-14(22)19-16-21-20-15(24-16)13-6-3-7-23-13/h2-8,10,18H,9H2,1H3,(H,19,21,22)/t10-/m1/s1
InChIKeyRYPFTASLEMKADR-SNVBAGLBSA-N
MW346.77 g/mol
LogP3.27
Rot. Bonds6

About 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 97333346) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID97333346
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESC[C@@H](NCC(=O)Nc1nnc(-c2ccco2)o1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN4O3/c1-10(11-4-2-5-12(17)8-11)18-9-14(22)19-16-21-20-15(24-16)13-6-3-7-23-13/h2-8,10,18H,9H2,1H3,(H,19,21,22)/t10-/m1/s1
InChIKeyRYPFTASLEMKADR-SNVBAGLBSA-N
XLogP3.27
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7376837
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362560
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7416723
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide
CID 9330816
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 9043636
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9307739
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755824
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylbenzamide
CID 4129515

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 97333346) is 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is C[C@@H](NCC(=O)Nc1nnc(-c2ccco2)o1)c1cccc(Cl)c1.
What is the InChIKey of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is RYPFTASLEMKADR-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-10(11-4-2-5-12(17)8-11)18-9-14(22)19-16-21-20-15(24-16)13-6-3-7-23-13/h2-8,10,18H,9H2,1H3,(H,19,21,22)/t10-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 346.77 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 97333346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).