diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate

C18H29N3O6 — CID 3692953

IUPACdiethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate
SMILESCCCCC(N)c1nc(C(=O)NC(CCC(=O)OCC)C(=O)OCC)co1
InChIInChI=1S/C18H29N3O6/c1-4-7-8-12(19)17-21-14(11-27-17)16(23)20-13(18(24)26-6-3)9-10-15(22)25-5-2/h11-13H,4-10,19H2,1-3H3,(H,20,23)
InChIKeyQJTJMMAWHNJXFL-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.87
Rot. Bonds12

About diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate

diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate (PubChem CID 3692953) has the molecular formula C18H29N3O6 and a molecular weight of 383.45 g/mol. Its IUPAC name is diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate.

Molecular Properties

Compound Namediethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate
PubChem CID3692953
Molecular FormulaC18H29N3O6
Molecular Weight383.45 g/mol
Exact Mass383.21
IUPAC Namediethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate
SMILESCCCCC(N)c1nc(C(=O)NC(CCC(=O)OCC)C(=O)OCC)co1
InChIInChI=1S/C18H29N3O6/c1-4-7-8-12(19)17-21-14(11-27-17)16(23)20-13(18(24)26-6-3)9-10-15(22)25-5-2/h11-13H,4-10,19H2,1-3H3,(H,20,23)
InChIKeyQJTJMMAWHNJXFL-UHFFFAOYSA-N
XLogP1.87
TPSA133.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate
CID 3852120
ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 3836312
methyl 5-[[amino(nitramido)methylidene]amino]-2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanoate
CID 3541780
2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3859480
diethyl (2R)-2-[(2-bromo-1,3-thiazole-4-carbonyl)amino]pentanedioate
CID 70110304
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
methyl 2-[[2-(1-aminobutyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3541503
2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide
CID 3731660
2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
CID 3692940
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3861776

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate?
The IUPAC name of diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate (CID 3692953) is diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate.
What is the SMILES notation for diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate?
The canonical SMILES for diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate is CCCCC(N)c1nc(C(=O)NC(CCC(=O)OCC)C(=O)OCC)co1.
What is the InChIKey of diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate?
The InChIKey is QJTJMMAWHNJXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O6/c1-4-7-8-12(19)17-21-14(11-27-17)16(23)20-13(18(24)26-6-3)9-10-15(22)25-5-2/h11-13H,4-10,19H2,1-3H3,(H,20,23).
What are the key properties of diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate?
diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate has a molecular weight of 383.45 g/mol, XLogP of 1.87, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate is sourced from PubChem (CID 3692953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).