(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C15H21N5O2 — CID 95311636

IUPAC(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CC(n3nc(C)cc3C)C2)on1
InChIInChI=1S/C15H21N5O2/c1-9-5-11(3)20(17-9)13-7-19(8-13)12(4)15(21)16-14-6-10(2)18-22-14/h5-6,12-13H,7-8H2,1-4H3,(H,16,21)/t12-/m0/s1
InChIKeyMFTZPURCXHGPRH-LBPRGKRZSA-N
MW303.37 g/mol
LogP1.68
Rot. Bonds4

About (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 95311636) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID95311636
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CC(n3nc(C)cc3C)C2)on1
InChIInChI=1S/C15H21N5O2/c1-9-5-11(3)20(17-9)13-7-19(8-13)12(4)15(21)16-14-6-10(2)18-22-14/h5-6,12-13H,7-8H2,1-4H3,(H,16,21)/t12-/m0/s1
InChIKeyMFTZPURCXHGPRH-LBPRGKRZSA-N
XLogP1.68
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95301579
(2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
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2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
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N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide
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(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]propanamide
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(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 86916273
(2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 100837496
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
CID 96522187
(2S)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 97069590
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 134045166
N-cyclopropyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 86917144

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 95311636) is (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@H](C)N2CC(n3nc(C)cc3C)C2)on1.
What is the InChIKey of (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is MFTZPURCXHGPRH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9-5-11(3)20(17-9)13-7-19(8-13)12(4)15(21)16-14-6-10(2)18-22-14/h5-6,12-13H,7-8H2,1-4H3,(H,16,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 303.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 95311636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).