N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C18H21N3O4 — CID 71941676

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H21N3O4/c22-17(21-7-5-18(6-8-21)23-9-10-24-18)19-13-3-4-15-14(11-13)20-16(25-15)12-1-2-12/h3-4,11-12H,1-2,5-10H2,(H,19,22)
InChIKeyJISDCVXOMWZSKL-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.08
Rot. Bonds2

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 71941676) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID71941676
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H21N3O4/c22-17(21-7-5-18(6-8-21)23-9-10-24-18)19-13-3-4-15-14(11-13)20-16(25-15)12-1-2-12/h3-4,11-12H,1-2,5-10H2,(H,19,22)
InChIKeyJISDCVXOMWZSKL-UHFFFAOYSA-N
XLogP3.08
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide with MolForge

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Related Compounds

(3S)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-sulfamoylpyrrolidine-1-carboxamide
CID 96542793
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
CID 81251766
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
N-(4-acetamidophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989746
(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 94146559
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103577
4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride
CID 120924638
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
CID 71940384
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 87016586
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide
CID 128752639
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 71915800

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 71941676) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is JISDCVXOMWZSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-17(21-7-5-18(6-8-21)23-9-10-24-18)19-13-3-4-15-14(11-13)20-16(25-15)12-1-2-12/h3-4,11-12H,1-2,5-10H2,(H,19,22).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 71941676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).