3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

C23H21N5O — CID 138682214

IUPAC3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(N3CC[C@H]3c3ccccc3)nc2)no1
InChIInChI=1S/C23H21N5O/c24-23-19(7-4-11-25-23)21-14-18(27-29-21)13-16-8-9-22(26-15-16)28-12-10-20(28)17-5-2-1-3-6-17/h1-9,11,14-15,20H,10,12-13H2,(H2,24,25)/t20-/m0/s1
InChIKeyQAVOEOYKKHIRAH-FQEVSTJZSA-N
MW383.46 g/mol
LogP4.26
Rot. Bonds5

About 3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 138682214) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID138682214
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(N3CC[C@H]3c3ccccc3)nc2)no1
InChIInChI=1S/C23H21N5O/c24-23-19(7-4-11-25-23)21-14-18(27-29-21)13-16-8-9-22(26-15-16)28-12-10-20(28)17-5-2-1-3-6-17/h1-9,11,14-15,20H,10,12-13H2,(H2,24,25)/t20-/m0/s1
InChIKeyQAVOEOYKKHIRAH-FQEVSTJZSA-N
XLogP4.26
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 138682214) is 3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(Cc2ccc(N3CC[C@H]3c3ccccc3)nc2)no1.
What is the InChIKey of 3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is QAVOEOYKKHIRAH-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H21N5O/c24-23-19(7-4-11-25-23)21-14-18(27-29-21)13-16-8-9-22(26-15-16)28-12-10-20(28)17-5-2-1-3-6-17/h1-9,11,14-15,20H,10,12-13H2,(H2,24,25)/t20-/m0/s1.
What are the key properties of 3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 383.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 138682214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).