2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide

C19H19N7O2 — CID 66554902

IUPAC2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1nnc(-c2ccc3[nH]cc(-c4nccc(C(N)=O)n4)c3c2)o1
InChIInChI=1S/C19H19N7O2/c1-19(2,3)24-18-26-25-17(28-18)10-4-5-13-11(8-10)12(9-22-13)16-21-7-6-14(23-16)15(20)27/h4-9,22H,1-3H3,(H2,20,27)(H,24,26)
InChIKeyOSAJYFUYGLKCLG-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.98
Rot. Bonds4

About 2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide

2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide (PubChem CID 66554902) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide
PubChem CID66554902
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1nnc(-c2ccc3[nH]cc(-c4nccc(C(N)=O)n4)c3c2)o1
InChIInChI=1S/C19H19N7O2/c1-19(2,3)24-18-26-25-17(28-18)10-4-5-13-11(8-10)12(9-22-13)16-21-7-6-14(23-16)15(20)27/h4-9,22H,1-3H3,(H2,20,27)(H,24,26)
InChIKeyOSAJYFUYGLKCLG-UHFFFAOYSA-N
XLogP2.98
TPSA135.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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
N-ethyl-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 62705861
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
5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 66554730
5-[3-[4-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554904

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide (CID 66554902) is 2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide is CC(C)(C)Nc1nnc(-c2ccc3[nH]cc(-c4nccc(C(N)=O)n4)c3c2)o1.
What is the InChIKey of 2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide?
The InChIKey is OSAJYFUYGLKCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-19(2,3)24-18-26-25-17(28-18)10-4-5-13-11(8-10)12(9-22-13)16-21-7-6-14(23-16)15(20)27/h4-9,22H,1-3H3,(H2,20,27)(H,24,26).
What are the key properties of 2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide?
2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(tert-butylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 66554902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).