benzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate

C33H36N4O7 — CID 18517878

IUPACbenzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate
SMILESCC(C)CCN(C(=O)OCc1ccccc1)C(=O)N(CCCc1ccccc1)C(=O)c1nc(C(=O)N(C)c2ccco2)co1
InChIInChI=1S/C33H36N4O7/c1-24(2)18-20-37(33(41)44-22-26-14-8-5-9-15-26)32(40)36(19-10-16-25-12-6-4-7-13-25)31(39)29-34-27(23-43-29)30(38)35(3)28-17-11-21-42-28/h4-9,11-15,17,21,23-24H,10,16,18-20,22H2,1-3H3
InChIKeyRITMQMSJJVQZLM-UHFFFAOYSA-N
MW600.67 g/mol
LogP6.42
Rot. Bonds12

About benzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate

benzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate (PubChem CID 18517878) has the molecular formula C33H36N4O7 and a molecular weight of 600.67 g/mol. Its IUPAC name is benzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate.

Molecular Properties

Compound Namebenzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate
PubChem CID18517878
Molecular FormulaC33H36N4O7
Molecular Weight600.67 g/mol
Exact Mass600.26
IUPAC Namebenzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate
SMILESCC(C)CCN(C(=O)OCc1ccccc1)C(=O)N(CCCc1ccccc1)C(=O)c1nc(C(=O)N(C)c2ccco2)co1
InChIInChI=1S/C33H36N4O7/c1-24(2)18-20-37(33(41)44-22-26-14-8-5-9-15-26)32(40)36(19-10-16-25-12-6-4-7-13-25)31(39)29-34-27(23-43-29)30(38)35(3)28-17-11-21-42-28/h4-9,11-15,17,21,23-24H,10,16,18-20,22H2,1-3H3
InChIKeyRITMQMSJJVQZLM-UHFFFAOYSA-N
XLogP6.42
TPSA126.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.67
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze benzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate with MolForge

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Related Compounds

[[4-[1-adamantyl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-(3-methylbutyl)carbamic acid
CID 23071451
benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate
CID 110733313
benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate
CID 10383504
N,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide
CID 44554786
benzyl N-[[(3-acetylphenyl)-sulfamoylmethyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate
CID 22475453
2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid
CID 54412250
benzyl N-[[2-hydroxy-2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]carbamoyl]-N-(3-methylbutyl)carbamate
CID 18517718
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N-[2-[[2-[[2-[2-(4-hydroxyphenyl)ethyl-(2-oxoethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-N-(3-methylbutyl)carbamate
CID 170659557
benzyl N-amino-N-phenylcarbamate
CID 54267520
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
benzyl N,N-dimethylcarbamate
CID 12963450

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate?
The IUPAC name of benzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate (CID 18517878) is benzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate.
What is the SMILES notation for benzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate?
The canonical SMILES for benzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate is CC(C)CCN(C(=O)OCc1ccccc1)C(=O)N(CCCc1ccccc1)C(=O)c1nc(C(=O)N(C)c2ccco2)co1.
What is the InChIKey of benzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate?
The InChIKey is RITMQMSJJVQZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O7/c1-24(2)18-20-37(33(41)44-22-26-14-8-5-9-15-26)32(40)36(19-10-16-25-12-6-4-7-13-25)31(39)29-34-27(23-43-29)30(38)35(3)28-17-11-21-42-28/h4-9,11-15,17,21,23-24H,10,16,18-20,22H2,1-3H3.
What are the key properties of benzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate?
benzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate has a molecular weight of 600.67 g/mol, XLogP of 6.42, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[4-[furan-2-yl(methyl)carbamoyl]-1,3-oxazole-2-carbonyl]-(3-phenylpropyl)carbamoyl]-N-(3-methylbutyl)carbamate is sourced from PubChem (CID 18517878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).