1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine

C27H35N3O3 — CID 56672876

IUPAC1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine
SMILESCOc1ccc(CNC(CC(C)C)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C27H35N3O3/c1-20(2)17-24(28-19-22-9-11-23(31-3)12-10-22)26-29-25(18-21-7-5-4-6-8-21)27(33-26)30-13-15-32-16-14-30/h4-12,20,24,28H,13-19H2,1-3H3
InChIKeyLTXRUALOQWIFJT-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.99
Rot. Bonds10

About 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine

1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine (PubChem CID 56672876) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine
PubChem CID56672876
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Name1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine
SMILESCOc1ccc(CNC(CC(C)C)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C27H35N3O3/c1-20(2)17-24(28-19-22-9-11-23(31-3)12-10-22)26-29-25(18-21-7-5-4-6-8-21)27(33-26)30-13-15-32-16-14-30/h4-12,20,24,28H,13-19H2,1-3H3
InChIKeyLTXRUALOQWIFJT-UHFFFAOYSA-N
XLogP4.99
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-3-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
CID 56665763
1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
CID 56669360
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropylmethanamine
CID 56668438
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine
CID 56665422
1-[4-[(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine
CID 23633442
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-5-morpholin-4-yl-1,3-oxazol-2-yl)-[4-(dimethylamino)phenyl]methyl]-2,6-ditert-butylphenol
CID 132539119
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
CID 68516298
methyl 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1H-isoquinoline-2-carboxylate
CID 134863578
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one
CID 102173601
N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline
CID 118954414

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine (CID 56672876) is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine is COc1ccc(CNC(CC(C)C)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1.
What is the InChIKey of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine?
The InChIKey is LTXRUALOQWIFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-20(2)17-24(28-19-22-9-11-23(31-3)12-10-22)26-29-25(18-21-7-5-4-6-8-21)27(33-26)30-13-15-32-16-14-30/h4-12,20,24,28H,13-19H2,1-3H3.
What are the key properties of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine?
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine has a molecular weight of 449.60 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 56672876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).