N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide

C20H26N4O2 — CID 128752639

IUPACN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc2nc(C3CC3)oc2c1)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C20H26N4O2/c25-20(24-9-6-13(7-10-24)15-5-8-21-12-15)22-16-3-4-17-18(11-16)26-19(23-17)14-1-2-14/h3-4,11,13-15,21H,1-2,5-10,12H2,(H,22,25)
InChIKeyYEWFBUVHFSDQAU-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.56
Rot. Bonds3

About N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide

N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide (PubChem CID 128752639) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide
PubChem CID128752639
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc2nc(C3CC3)oc2c1)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C20H26N4O2/c25-20(24-9-6-13(7-10-24)15-5-8-21-12-15)22-16-3-4-17-18(11-16)26-19(23-17)14-1-2-14/h3-4,11,13-15,21H,1-2,5-10,12H2,(H,22,25)
InChIKeyYEWFBUVHFSDQAU-UHFFFAOYSA-N
XLogP3.56
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3aR,7aS)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxamide
CID 146150026
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 71941676
(3S)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-sulfamoylpyrrolidine-1-carboxamide
CID 96542793
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide
CID 83627413
3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide
CID 83627412
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
CID 81251766
3-[(2-cyclopropyl-1,3-benzoxazol-6-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122099672
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
(3S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 111431736
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119342235
methyl 1-[(2-cyclopropyl-1,3-benzoxazol-6-yl)carbamoyl]cyclopropane-1-carboxylate
CID 99634320

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide (CID 128752639) is N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide is O=C(Nc1ccc2nc(C3CC3)oc2c1)N1CCC(C2CCNC2)CC1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide?
The InChIKey is YEWFBUVHFSDQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-20(24-9-6-13(7-10-24)15-5-8-21-12-15)22-16-3-4-17-18(11-16)26-19(23-17)14-1-2-14/h3-4,11,13-15,21H,1-2,5-10,12H2,(H,22,25).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide?
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-pyrrolidin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 128752639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).