N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C18H23N3O3S — CID 42243962

IUPACN-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESC=CCC(O)(CC=C)[C@@H](C)NC(=O)CCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C18H23N3O3S/c1-4-9-18(23,10-5-2)13(3)19-15(22)6-7-16-20-21-17(24-16)14-8-11-25-12-14/h4-5,8,11-13,23H,1-2,6-7,9-10H2,3H3,(H,19,22)/t13-/m1/s1
InChIKeyANMFOFBHGNZAEJ-CYBMUJFWSA-N
MW361.47 g/mol
LogP3.12
Rot. Bonds10

About N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 42243962) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID42243962
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESC=CCC(O)(CC=C)[C@@H](C)NC(=O)CCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C18H23N3O3S/c1-4-9-18(23,10-5-2)13(3)19-15(22)6-7-16-20-21-17(24-16)14-8-11-25-12-14/h4-5,8,11-13,23H,1-2,6-7,9-10H2,3H3,(H,19,22)/t13-/m1/s1
InChIKeyANMFOFBHGNZAEJ-CYBMUJFWSA-N
XLogP3.12
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 42243962) is N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is C=CCC(O)(CC=C)[C@@H](C)NC(=O)CCc1nnc(-c2ccsc2)o1.
What is the InChIKey of N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is ANMFOFBHGNZAEJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-9-18(23,10-5-2)13(3)19-15(22)6-7-16-20-21-17(24-16)14-8-11-25-12-14/h4-5,8,11-13,23H,1-2,6-7,9-10H2,3H3,(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 361.47 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 42243962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).