(2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C19H18N4O5S — CID 7683083

IUPAC(2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C19H18N4O5S/c1-11-6-4-5-7-14(11)18-21-22-19(28-18)29-12(2)17(24)20-15-9-8-13(23(25)26)10-16(15)27-3/h4-10,12H,1-3H3,(H,20,24)/t12-/m1/s1
InChIKeyAHCRSCNTOWUDDY-GFCCVEGCSA-N
MW414.44 g/mol
LogP4.08
Rot. Bonds7

About (2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

(2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 7683083) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID7683083
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name(2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C19H18N4O5S/c1-11-6-4-5-7-14(11)18-21-22-19(28-18)29-12(2)17(24)20-15-9-8-13(23(25)26)10-16(15)27-3/h4-10,12H,1-3H3,(H,20,24)/t12-/m1/s1
InChIKeyAHCRSCNTOWUDDY-GFCCVEGCSA-N
XLogP4.08
TPSA120.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 40919682
(2R)-N-(2-methoxy-5-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889753
N-(2,4-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 84865773
N-(2,4-difluorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 84865788
(2S)-N-(2,4-dichlorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7682860
(2R)-N-(2,4-dichlorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7682861
(2S)-N-(4-chloro-2-fluorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889751
(2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 7683134
N-cyclopropyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78524477
(2S)-N-cyclopropyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7683068
(2R)-N-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7556784
(2S)-N-(2-chloro-3-pyridinyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889757

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 7683083) is (2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)o1.
What is the InChIKey of (2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is AHCRSCNTOWUDDY-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18N4O5S/c1-11-6-4-5-7-14(11)18-21-22-19(28-18)29-12(2)17(24)20-15-9-8-13(23(25)26)10-16(15)27-3/h4-10,12H,1-3H3,(H,20,24)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
(2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 414.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-4-nitrophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 7683083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).