N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C17H18N4O2 — CID 51391532

IUPACN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1nn(C)cc1[C@H](C)NC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H18N4O2/c1-11(14-10-21(3)19-12(14)2)18-17(22)15-9-16(23-20-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,18,22)/t11-/m0/s1
InChIKeyACGJEOKUSBVTDS-NSHDSACASA-N
MW310.36 g/mol
LogP2.87
Rot. Bonds4

About N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 51391532) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID51391532
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1nn(C)cc1[C@H](C)NC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H18N4O2/c1-11(14-10-21(3)19-12(14)2)18-17(22)15-9-16(23-20-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,18,22)/t11-/m0/s1
InChIKeyACGJEOKUSBVTDS-NSHDSACASA-N
XLogP2.87
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 51391532) is N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is ACGJEOKUSBVTDS-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(14-10-21(3)19-12(14)2)18-17(22)15-9-16(23-20-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,18,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51391532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).