5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine

C20H20N6O — CID 66554900

IUPAC5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4ccnc(C5CC5)n4)c3c2)o1
InChIInChI=1S/C20H20N6O/c1-11(2)23-20-26-25-19(27-20)13-5-6-16-14(9-13)15(10-22-16)17-7-8-21-18(24-17)12-3-4-12/h5-12,22H,3-4H2,1-2H3,(H,23,26)
InChIKeyPFJLWRBNOCAYMG-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.37
Rot. Bonds5

About 5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine

5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 66554900) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID66554900
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4ccnc(C5CC5)n4)c3c2)o1
InChIInChI=1S/C20H20N6O/c1-11(2)23-20-26-25-19(27-20)13-5-6-16-14(9-13)15(10-22-16)17-7-8-21-18(24-17)12-3-4-12/h5-12,22H,3-4H2,1-2H3,(H,23,26)
InChIKeyPFJLWRBNOCAYMG-UHFFFAOYSA-N
XLogP4.37
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554898
(3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide
CID 162624763
N-[(R)-cyclopropyl-(2-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
CID 136245297
N-[(R)-cyclopropyl(phenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
CID 136247014
N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
CID 162660174
5-(1H-indol-5-yl)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 77106364
3-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(1H-indol-5-yl)-2-pyridinamine
CID 77106960
5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 60202646
5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554555
5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554557
5-(3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 66554727
5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554728

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 66554900) is 5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine is CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4ccnc(C5CC5)n4)c3c2)o1.
What is the InChIKey of 5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is PFJLWRBNOCAYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-11(2)23-20-26-25-19(27-20)13-5-6-16-14(9-13)15(10-22-16)17-7-8-21-18(24-17)12-3-4-12/h5-12,22H,3-4H2,1-2H3,(H,23,26).
What are the key properties of 5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 360.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-cyclopropylpyrimidin-4-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66554900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).