N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C17H22N4O3 — CID 95383413

IUPACN-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H](CNC(=O)CNC(=O)c1cc(-c2ccccc2)on1)N(C)C
InChIInChI=1S/C17H22N4O3/c1-12(21(2)3)10-18-16(22)11-19-17(23)14-9-15(24-20-14)13-7-5-4-6-8-13/h4-9,12H,10-11H2,1-3H3,(H,18,22)(H,19,23)/t12-/m0/s1
InChIKeyFTHSFFFDYMSKHS-LBPRGKRZSA-N
MW330.39 g/mol
LogP1.14
Rot. Bonds7

About N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 95383413) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID95383413
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H](CNC(=O)CNC(=O)c1cc(-c2ccccc2)on1)N(C)C
InChIInChI=1S/C17H22N4O3/c1-12(21(2)3)10-18-16(22)11-19-17(23)14-9-15(24-20-14)13-7-5-4-6-8-13/h4-9,12H,10-11H2,1-3H3,(H,18,22)(H,19,23)/t12-/m0/s1
InChIKeyFTHSFFFDYMSKHS-LBPRGKRZSA-N
XLogP1.14
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 95383413) is N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is C[C@@H](CNC(=O)CNC(=O)c1cc(-c2ccccc2)on1)N(C)C.
What is the InChIKey of N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is FTHSFFFDYMSKHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12(21(2)3)10-18-16(22)11-19-17(23)14-9-15(24-20-14)13-7-5-4-6-8-13/h4-9,12H,10-11H2,1-3H3,(H,18,22)(H,19,23)/t12-/m0/s1.
What are the key properties of N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95383413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).