N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide

C18H27N3O5 — CID 58563856

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CN(C(=O)C3CCOCC3)CCO2)no1
InChIInChI=1S/C18H27N3O5/c1-18(2,3)14-10-15(20-26-14)19-16(22)13-11-21(6-9-25-13)17(23)12-4-7-24-8-5-12/h10,12-13H,4-9,11H2,1-3H3,(H,19,20,22)
InChIKeyOFBKZXGWLFVEAI-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.56
Rot. Bonds3

About N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide (PubChem CID 58563856) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide
PubChem CID58563856
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CN(C(=O)C3CCOCC3)CCO2)no1
InChIInChI=1S/C18H27N3O5/c1-18(2,3)14-10-15(20-26-14)19-16(22)13-11-21(6-9-25-13)17(23)12-4-7-24-8-5-12/h10,12-13H,4-9,11H2,1-3H3,(H,19,20,22)
InChIKeyOFBKZXGWLFVEAI-UHFFFAOYSA-N
XLogP1.56
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
CID 118249906
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(morpholine-4-carbonyl)piperidine-2-carboxamide
CID 70865049
1-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-N-(oxan-4-yl)-1,4-diazepane-1,4-dicarboxamide
CID 54583927
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide
CID 70865040
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 54585837
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpiperidine-2-carboxamide
CID 46873516
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-methoxycyclohexanecarbonyl)-1,4-diazepane-1-carboxamide
CID 59143438
1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 75239154
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
tert-butyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68786586
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide
CID 135291988
N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide
CID 79680809

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide (CID 58563856) is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide is CC(C)(C)c1cc(NC(=O)C2CN(C(=O)C3CCOCC3)CCO2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide?
The InChIKey is OFBKZXGWLFVEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-18(2,3)14-10-15(20-26-14)19-16(22)13-11-21(6-9-25-13)17(23)12-4-7-24-8-5-12/h10,12-13H,4-9,11H2,1-3H3,(H,19,20,22).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 58563856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).