(2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide

C17H22N4O2 — CID 129353061

IUPAC(2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide
SMILESCc1cc(CCNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)on1
InChIInChI=1S/C17H22N4O2/c1-12-10-14(23-20-12)6-9-19-16(22)21-11-17(2,3)15(21)13-4-7-18-8-5-13/h4-5,7-8,10,15H,6,9,11H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyYABJPHRPNXTNSL-HNNXBMFYSA-N
MW314.39 g/mol
LogP2.71
Rot. Bonds4

About (2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide

(2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide (PubChem CID 129353061) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide
PubChem CID129353061
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide
SMILESCc1cc(CCNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)on1
InChIInChI=1S/C17H22N4O2/c1-12-10-14(23-20-12)6-9-19-16(22)21-11-17(2,3)15(21)13-4-7-18-8-5-13/h4-5,7-8,10,15H,6,9,11H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyYABJPHRPNXTNSL-HNNXBMFYSA-N
XLogP2.71
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide with MolForge

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Related Compounds

(2R)-3,3-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridin-4-ylazetidine-1-carboxamide
CID 164639611
(1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016497
1,7-bis(3,3-dimethyl-2-pyridin-4-ylazetidin-1-yl)heptane-1,7-dione
CID 166202837
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide
CID 71789691
5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123826
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537602
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537604
2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 90537585
4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 175958266
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71789714
2,3-dimethoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537616
4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537554

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide?
The IUPAC name of (2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide (CID 129353061) is (2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide.
What is the SMILES notation for (2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide?
The canonical SMILES for (2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide is Cc1cc(CCNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)on1.
What is the InChIKey of (2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide?
The InChIKey is YABJPHRPNXTNSL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-10-14(23-20-12)6-9-19-16(22)21-11-17(2,3)15(21)13-4-7-18-8-5-13/h4-5,7-8,10,15H,6,9,11H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide?
(2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-4-ylazetidine-1-carboxamide is sourced from PubChem (CID 129353061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).