(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone

C19H23N5O3 — CID 97345489

IUPAC(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESCc1noc2ncc(C(=O)N3CCCCC[C@H]3c3noc(C(C)C)n3)cc12
InChIInChI=1S/C19H23N5O3/c1-11(2)17-21-16(23-26-17)15-7-5-4-6-8-24(15)19(25)13-9-14-12(3)22-27-18(14)20-10-13/h9-11,15H,4-8H2,1-3H3/t15-/m0/s1
InChIKeyOOTVIVJLGGMQTM-HNNXBMFYSA-N
MW369.43 g/mol
LogP3.80
Rot. Bonds3

About (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone

(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (PubChem CID 97345489) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
PubChem CID97345489
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESCc1noc2ncc(C(=O)N3CCCCC[C@H]3c3noc(C(C)C)n3)cc12
InChIInChI=1S/C19H23N5O3/c1-11(2)17-21-16(23-26-17)15-7-5-4-6-8-24(15)19(25)13-9-14-12(3)22-27-18(14)20-10-13/h9-11,15H,4-8H2,1-3H3/t15-/m0/s1
InChIKeyOOTVIVJLGGMQTM-HNNXBMFYSA-N
XLogP3.80
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone with MolForge

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Related Compounds

(6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 154759964
(2-fluoro-4-pyridinyl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345492
[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 75475057
[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
CID 97345487
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119631996
1H-imidazol-5-yl-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779553
[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345500
2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 79372237
[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 138034649
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 97345408
1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione
CID 166235513
[6-(dimethylamino)-3-pyridinyl]-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345379

Frequently Asked Questions

What is the IUPAC name of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The IUPAC name of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (CID 97345489) is (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.
What is the SMILES notation for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The canonical SMILES for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is Cc1noc2ncc(C(=O)N3CCCCC[C@H]3c3noc(C(C)C)n3)cc12.
What is the InChIKey of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The InChIKey is OOTVIVJLGGMQTM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11(2)17-21-16(23-26-17)15-7-5-4-6-8-24(15)19(25)13-9-14-12(3)22-27-18(14)20-10-13/h9-11,15H,4-8H2,1-3H3/t15-/m0/s1.
What are the key properties of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is sourced from PubChem (CID 97345489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).