N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine

C16H12FN5O — CID 135862898

IUPACN-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
SMILESFc1cccc(CNc2nnc(-c3c[nH]c4ncccc34)o2)c1
InChIInChI=1S/C16H12FN5O/c17-11-4-1-3-10(7-11)8-20-16-22-21-15(23-16)13-9-19-14-12(13)5-2-6-18-14/h1-7,9H,8H2,(H,18,19)(H,20,22)
InChIKeyZLKAWLARCAFHIB-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.36
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine

N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 135862898) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID135862898
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC NameN-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
SMILESFc1cccc(CNc2nnc(-c3c[nH]c4ncccc34)o2)c1
InChIInChI=1S/C16H12FN5O/c17-11-4-1-3-10(7-11)8-20-16-22-21-15(23-16)13-9-19-14-12(13)5-2-6-18-14/h1-7,9H,8H2,(H,18,19)(H,20,22)
InChIKeyZLKAWLARCAFHIB-UHFFFAOYSA-N
XLogP3.36
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one
CID 58167977
2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid
CID 67086504
N-[(3-fluorophenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634149
benzyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 137301297
8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine
CID 43450144
N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine
CID 11299717
N-[(3-fluorophenyl)methyl]furo[3,2-c]pyridin-4-amine
CID 103702615
5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 58338473
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CID 47170554
6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 43674609
N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 10069735
(E)-N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide;dihydrochloride
CID 42635931

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine (CID 135862898) is N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine is Fc1cccc(CNc2nnc(-c3c[nH]c4ncccc34)o2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZLKAWLARCAFHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O/c17-11-4-1-3-10(7-11)8-20-16-22-21-15(23-16)13-9-19-14-12(13)5-2-6-18-14/h1-7,9H,8H2,(H,18,19)(H,20,22).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine?
N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 309.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 135862898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).