4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine

C18H23N3O2 — CID 166290301

IUPAC4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine
SMILESCc1cc(C2CN(Cc3ccccc3N3CCOCC3)C2)no1
InChIInChI=1S/C18H23N3O2/c1-14-10-17(19-23-14)16-12-20(13-16)11-15-4-2-3-5-18(15)21-6-8-22-9-7-21/h2-5,10,16H,6-9,11-13H2,1H3
InChIKeyHNMCCDUSPKJPHH-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.42
Rot. Bonds4

About 4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine

4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine (PubChem CID 166290301) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine
PubChem CID166290301
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine
SMILESCc1cc(C2CN(Cc3ccccc3N3CCOCC3)C2)no1
InChIInChI=1S/C18H23N3O2/c1-14-10-17(19-23-14)16-12-20(13-16)11-15-4-2-3-5-18(15)21-6-8-22-9-7-21/h2-5,10,16H,6-9,11-13H2,1H3
InChIKeyHNMCCDUSPKJPHH-UHFFFAOYSA-N
XLogP2.42
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
CID 167847529
2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 167884756
4-[2-[[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]phenyl]morpholine
CID 4984355
(2R)-4-[(2-morpholin-4-ylphenyl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 97147456
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108956543
4-[2-(2,2-dimethylpropyl)phenyl]morpholine
CID 58063137
2-[(2-methyl-3-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 154131371
2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide
CID 100613829
2-[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-4-yl]hexanoic acid;dihydrochloride
CID 142749275
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 55343273
(3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
CID 95164617
2-methyl-1-(2-morpholin-4-ylphenyl)propan-2-amine
CID 82620484

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine?
The IUPAC name of 4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine (CID 166290301) is 4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine.
What is the SMILES notation for 4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine?
The canonical SMILES for 4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine is Cc1cc(C2CN(Cc3ccccc3N3CCOCC3)C2)no1.
What is the InChIKey of 4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine?
The InChIKey is HNMCCDUSPKJPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-10-17(19-23-14)16-12-20(13-16)11-15-4-2-3-5-18(15)21-6-8-22-9-7-21/h2-5,10,16H,6-9,11-13H2,1H3.
What are the key properties of 4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine?
4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine has a molecular weight of 313.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine is sourced from PubChem (CID 166290301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).