N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C18H18N4O3 — CID 110204727

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H18N4O3/c23-12-15(13-4-2-1-3-5-13)20-16(24)6-7-17-21-18(22-25-17)14-8-10-19-11-9-14/h1-5,8-11,15,23H,6-7,12H2,(H,20,24)/t15-/m1/s1
InChIKeyVQZSMMIJWSQROQ-OAHLLOKOSA-N
MW338.37 g/mol
LogP1.91
Rot. Bonds7

About N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 110204727) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID110204727
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H18N4O3/c23-12-15(13-4-2-1-3-5-13)20-16(24)6-7-17-21-18(22-25-17)14-8-10-19-11-9-14/h1-5,8-11,15,23H,6-7,12H2,(H,20,24)/t15-/m1/s1
InChIKeyVQZSMMIJWSQROQ-OAHLLOKOSA-N
XLogP1.91
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
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3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100763831
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100759256
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
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4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 110204727) is N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccncc2)no1)N[C@H](CO)c1ccccc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is VQZSMMIJWSQROQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-12-15(13-4-2-1-3-5-13)20-16(24)6-7-17-21-18(22-25-17)14-8-10-19-11-9-14/h1-5,8-11,15,23H,6-7,12H2,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 338.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 110204727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).