3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one

C17H21ClN4O2 — CID 124958863

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
SMILESCNc1cc([C@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)ccn1
InChIInChI=1S/C17H21ClN4O2/c1-19-16-9-12(6-7-20-16)13-3-2-8-22(11-13)17(23)5-4-14-10-15(18)21-24-14/h6-7,9-10,13H,2-5,8,11H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyGJCQWCWHHWXEFO-ZDUSSCGKSA-N
MW348.83 g/mol
LogP3.10
Rot. Bonds5

About 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one

3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 124958863) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
PubChem CID124958863
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
SMILESCNc1cc([C@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)ccn1
InChIInChI=1S/C17H21ClN4O2/c1-19-16-9-12(6-7-20-16)13-3-2-8-22(11-13)17(23)5-4-14-10-15(18)21-24-14/h6-7,9-10,13H,2-5,8,11H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyGJCQWCWHHWXEFO-ZDUSSCGKSA-N
XLogP3.10
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 125000164
3-(4-fluorophenyl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 125018293
1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110105830
2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125022184
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 125023544
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 125011212
(3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 110105793
3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 70723901
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 51501232
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
5,5-dimethyl-3-[2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124955043
2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 124999143

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one (CID 124958863) is 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one is CNc1cc([C@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)ccn1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one?
The InChIKey is GJCQWCWHHWXEFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-19-16-9-12(6-7-20-16)13-3-2-8-22(11-13)17(23)5-4-14-10-15(18)21-24-14/h6-7,9-10,13H,2-5,8,11H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one?
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 348.83 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124958863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).