N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide

C19H24N6O2 — CID 52516909

IUPACN-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)(C)C[C@H](NC(=O)CCc1nc(-c2ncn[nH]2)no1)c1ccccc1
InChIInChI=1S/C19H24N6O2/c1-19(2,3)11-14(13-7-5-4-6-8-13)22-15(26)9-10-16-23-18(25-27-16)17-20-12-21-24-17/h4-8,12,14H,9-11H2,1-3H3,(H,22,26)(H,20,21,24)/t14-/m0/s1
InChIKeyDVUGVXSGWUUJKU-AWEZNQCLSA-N
MW368.44 g/mol
LogP3.08
Rot. Bonds7

About N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 52516909) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID52516909
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)(C)C[C@H](NC(=O)CCc1nc(-c2ncn[nH]2)no1)c1ccccc1
InChIInChI=1S/C19H24N6O2/c1-19(2,3)11-14(13-7-5-4-6-8-13)22-15(26)9-10-16-23-18(25-27-16)17-20-12-21-24-17/h4-8,12,14H,9-11H2,1-3H3,(H,22,26)(H,20,21,24)/t14-/m0/s1
InChIKeyDVUGVXSGWUUJKU-AWEZNQCLSA-N
XLogP3.08
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 86941007
N-[2-(4-propan-2-ylphenoxy)ethyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
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5-(2-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944633
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1-phenylbutyl)propanamide
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N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192496
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N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 94811628
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 110204727
4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid
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2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 52516909) is N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)(C)C[C@H](NC(=O)CCc1nc(-c2ncn[nH]2)no1)c1ccccc1.
What is the InChIKey of N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is DVUGVXSGWUUJKU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-19(2,3)11-14(13-7-5-4-6-8-13)22-15(26)9-10-16-23-18(25-27-16)17-20-12-21-24-17/h4-8,12,14H,9-11H2,1-3H3,(H,22,26)(H,20,21,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 368.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 52516909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).