1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one

C20H26N2O3 — CID 102173601

IUPAC1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one
SMILESCCCCCC(=O)c1nc(Cc2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C20H26N2O3/c1-2-3-5-10-18(23)19-21-17(15-16-8-6-4-7-9-16)20(25-19)22-11-13-24-14-12-22/h4,6-9H,2-3,5,10-15H2,1H3
InChIKeyPZVYJNFNSKVOLL-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.87
Rot. Bonds8

About 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one

1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one (PubChem CID 102173601) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one.

Molecular Properties

Compound Name1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one
PubChem CID102173601
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one
SMILESCCCCCC(=O)c1nc(Cc2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C20H26N2O3/c1-2-3-5-10-18(23)19-21-17(15-16-8-6-4-7-9-16)20(25-19)22-11-13-24-14-12-22/h4,6-9H,2-3,5,10-15H2,1H3
InChIKeyPZVYJNFNSKVOLL-UHFFFAOYSA-N
XLogP3.87
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

methyl (2S)-1-[1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)heptyl]pyrrolidine-2-carboxylate
CID 101133614
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine
CID 102270460
4-(4-benzyl-1,3-oxazol-5-yl)morpholine
CID 135041945
methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate
CID 134863578
1-morpholin-4-yl-1-phenylheptan-2-one
CID 102574890
1-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)heptan-1-one
CID 7288495
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-3-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
CID 56665763
4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 46854232
1-[2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]octan-1-one
CID 42785740
(Z)-4-[[1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-2-phenylsulfanylethyl]-(2-phenylethyl)amino]-4-oxobut-2-enoic acid
CID 135020832
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 56672876
1-[2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]heptan-1-one
CID 42785841

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one?
The IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one (CID 102173601) is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one.
What is the SMILES notation for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one?
The canonical SMILES for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one is CCCCCC(=O)c1nc(Cc2ccccc2)c(N2CCOCC2)o1.
What is the InChIKey of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one?
The InChIKey is PZVYJNFNSKVOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-3-5-10-18(23)19-21-17(15-16-8-6-4-7-9-16)20(25-19)22-11-13-24-14-12-22/h4,6-9H,2-3,5,10-15H2,1H3.
What are the key properties of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one?
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one has a molecular weight of 342.44 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one is sourced from PubChem (CID 102173601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).