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

C22H26N4O2 — CID 8938536

IUPACN-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)N[C@H](CN(C)C)c3ccccc3)o2)cc1
InChIInChI=1S/C22H26N4O2/c1-16-9-11-18(12-10-16)22-25-24-21(28-22)14-13-20(27)23-19(15-26(2)3)17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3,(H,23,27)/t19-/m1/s1
InChIKeySANHMAXOIQPJIB-LJQANCHMSA-N
MW378.48 g/mol
LogP3.40
Rot. Bonds8

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

N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 8938536) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID8938536
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)N[C@H](CN(C)C)c3ccccc3)o2)cc1
InChIInChI=1S/C22H26N4O2/c1-16-9-11-18(12-10-16)22-25-24-21(28-22)14-13-20(27)23-19(15-26(2)3)17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3,(H,23,27)/t19-/m1/s1
InChIKeySANHMAXOIQPJIB-LJQANCHMSA-N
XLogP3.40
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]propanamide
CID 9150677
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]propanamide
CID 9150689
N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24547864
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CID 55736229
N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
CID 45352017
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 24645445
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55753849
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 24600996
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18107156
N-[1-(1-adamantyl)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18108541
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 8938536) is N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)N[C@H](CN(C)C)c3ccccc3)o2)cc1.
What is the InChIKey of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is SANHMAXOIQPJIB-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-9-11-18(12-10-16)22-25-24-21(28-22)14-13-20(27)23-19(15-26(2)3)17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3,(H,23,27)/t19-/m1/s1.
What are the key properties of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 378.48 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 8938536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).