ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate

C19H18N4O5 — CID 45013153

IUPACethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C19H18N4O5/c1-3-27-19(25)20-15-7-5-4-6-14(15)16(24)21-18-23-22-17(28-18)12-8-10-13(26-2)11-9-12/h4-11H,3H2,1-2H3,(H,20,25)(H,21,23,24)
InChIKeyKYRSXFODGKYITM-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.57
Rot. Bonds6

About ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate

ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate (PubChem CID 45013153) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate
PubChem CID45013153
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Nameethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C19H18N4O5/c1-3-27-19(25)20-15-7-5-4-6-14(15)16(24)21-18-23-22-17(28-18)12-8-10-13(26-2)11-9-12/h4-11H,3H2,1-2H3,(H,20,25)(H,21,23,24)
InChIKeyKYRSXFODGKYITM-UHFFFAOYSA-N
XLogP3.57
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate with MolForge

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Related Compounds

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 4782503
1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521325
ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate
CID 45017389
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43975922
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide
CID 3550447
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide
CID 155302345
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 7655700
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43975665
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 43978010

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate (CID 45013153) is ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate is CCOC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)o1.
What is the InChIKey of ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate?
The InChIKey is KYRSXFODGKYITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-3-27-19(25)20-15-7-5-4-6-14(15)16(24)21-18-23-22-17(28-18)12-8-10-13(26-2)11-9-12/h4-11H,3H2,1-2H3,(H,20,25)(H,21,23,24).
What are the key properties of ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate?
ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate has a molecular weight of 382.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 45013153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).