N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide

C21H25N3O2 — CID 8695440

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1cc(C(C)(C)C)no1)c1cccc2ccccc12
InChIInChI=1S/C21H25N3O2/c1-14(16-11-7-9-15-8-5-6-10-17(15)16)22-13-19(25)23-20-12-18(24-26-20)21(2,3)4/h5-12,14,22H,13H2,1-4H3,(H,23,25)/t14-/m0/s1
InChIKeyBWMFPWRAMFRDRM-AWEZNQCLSA-N
MW351.45 g/mol
LogP4.41
Rot. Bonds5

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide (PubChem CID 8695440) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
PubChem CID8695440
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1cc(C(C)(C)C)no1)c1cccc2ccccc12
InChIInChI=1S/C21H25N3O2/c1-14(16-11-7-9-15-8-5-6-10-17(15)16)22-13-19(25)23-20-12-18(24-26-20)21(2,3)4/h5-12,14,22H,13H2,1-4H3,(H,23,25)/t14-/m0/s1
InChIKeyBWMFPWRAMFRDRM-AWEZNQCLSA-N
XLogP4.41
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986
N-(3,5-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397108
N-(2,4-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397239
N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396912
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695538
N-(2-methoxy-5-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396925
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396732
4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide
CID 9397279
N-(3-methoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396909
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396776
2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-(2-phenylphenyl)acetamide
CID 9397796

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide (CID 8695440) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide is C[C@H](NCC(=O)Nc1cc(C(C)(C)C)no1)c1cccc2ccccc12.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The InChIKey is BWMFPWRAMFRDRM-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14(16-11-7-9-15-8-5-6-10-17(15)16)22-13-19(25)23-20-12-18(24-26-20)21(2,3)4/h5-12,14,22H,13H2,1-4H3,(H,23,25)/t14-/m0/s1.
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide has a molecular weight of 351.45 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide is sourced from PubChem (CID 8695440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).