N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H17N5O3 — CID 55624586

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccnc2)no1)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C20H17N5O3/c26-17(7-8-18-24-19(25-28-18)13-2-1-9-21-11-13)22-14-5-6-16-15(10-14)23-20(27-16)12-3-4-12/h1-2,5-6,9-12H,3-4,7-8H2,(H,22,26)
InChIKeyUYLVFMMBHACRLO-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.72
Rot. Bonds6

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55624586) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55624586
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccnc2)no1)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C20H17N5O3/c26-17(7-8-18-24-19(25-28-18)13-2-1-9-21-11-13)22-14-5-6-16-15(10-14)23-20(27-16)12-3-4-12/h1-2,5-6,9-12H,3-4,7-8H2,(H,22,26)
InChIKeyUYLVFMMBHACRLO-UHFFFAOYSA-N
XLogP3.72
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 51233758
N-(4-acetylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 16765512
N-[4-(methylcarbamoylamino)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55626773
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747
N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46460553
methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate
CID 16765520
2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55991123
N-(4-morpholin-4-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354680
2-chloro-N-phenyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 86954732
N-(6-methoxy-3-pyridinyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46459907
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55622608
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55631662

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55624586) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is UYLVFMMBHACRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c26-17(7-8-18-24-19(25-28-18)13-2-1-9-21-11-13)22-14-5-6-16-15(10-14)23-20(27-16)12-3-4-12/h1-2,5-6,9-12H,3-4,7-8H2,(H,22,26).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 375.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55624586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).