ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate

C16H20N4O4 — CID 8799683

IUPACethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H20N4O4/c1-3-20(10-13(21)17-16(22)23-4-2)11-14-18-19-15(24-14)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,17,21,22)
InChIKeyLSUZZMNSFYQWRE-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.83
Rot. Bonds7

About ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate

ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate (PubChem CID 8799683) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate
PubChem CID8799683
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Nameethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H20N4O4/c1-3-20(10-13(21)17-16(22)23-4-2)11-14-18-19-15(24-14)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,17,21,22)
InChIKeyLSUZZMNSFYQWRE-UHFFFAOYSA-N
XLogP1.83
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 31479026
ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905436
1-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]-2-methylpropan-2-ol
CID 78962464
2-[ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]-N-propan-2-ylacetamide
CID 8792897
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 78816852
N-ethyl-2-[ethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
CID 8682611
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-ynylamino]acetic acid
CID 79284633
N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 46249412
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 77083425
ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905214
ethyl N-[2-[ethyl-[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]amino]acetyl]carbamate
CID 8557018

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate (CID 8799683) is ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate?
The InChIKey is LSUZZMNSFYQWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-3-20(10-13(21)17-16(22)23-4-2)11-14-18-19-15(24-14)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,17,21,22).
What are the key properties of ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate?
ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate has a molecular weight of 332.36 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate is sourced from PubChem (CID 8799683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).