N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide

C18H23N3O3 — CID 164632868

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide
SMILESCCc1cc(CNC(=O)c2ccccc2NC(=O)[C@@H](C)CC)on1
InChIInChI=1S/C18H23N3O3/c1-4-12(3)17(22)20-16-9-7-6-8-15(16)18(23)19-11-14-10-13(5-2)21-24-14/h6-10,12H,4-5,11H2,1-3H3,(H,19,23)(H,20,22)/t12-/m0/s1
InChIKeyRQCNPASIIRCGHZ-LBPRGKRZSA-N
MW329.40 g/mol
LogP3.15
Rot. Bonds7

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide (PubChem CID 164632868) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide
PubChem CID164632868
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide
SMILESCCc1cc(CNC(=O)c2ccccc2NC(=O)[C@@H](C)CC)on1
InChIInChI=1S/C18H23N3O3/c1-4-12(3)17(22)20-16-9-7-6-8-15(16)18(23)19-11-14-10-13(5-2)21-24-14/h6-10,12H,4-5,11H2,1-3H3,(H,19,23)(H,20,22)/t12-/m0/s1
InChIKeyRQCNPASIIRCGHZ-LBPRGKRZSA-N
XLogP3.15
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide (CID 164632868) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide is CCc1cc(CNC(=O)c2ccccc2NC(=O)[C@@H](C)CC)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide?
The InChIKey is RQCNPASIIRCGHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-12(3)17(22)20-16-9-7-6-8-15(16)18(23)19-11-14-10-13(5-2)21-24-14/h6-10,12H,4-5,11H2,1-3H3,(H,19,23)(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide has a molecular weight of 329.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]benzamide is sourced from PubChem (CID 164632868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).