N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine

C28H36N4O4 — CID 167465940

IUPACN-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
SMILESCOc1cccc(CN(Cc2cccc(N3CCOCC3)c2)c2nc(C)c(CN3CCOCC3)o2)c1
InChIInChI=1S/C28H36N4O4/c1-22-27(21-30-9-13-34-14-10-30)36-28(29-22)32(20-24-6-4-8-26(18-24)33-2)19-23-5-3-7-25(17-23)31-11-15-35-16-12-31/h3-8,17-18H,9-16,19-21H2,1-2H3
InChIKeyMIVIFKJIKJLVBA-UHFFFAOYSA-N
MW492.62 g/mol
LogP3.87
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine

N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine (PubChem CID 167465940) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
PubChem CID167465940
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
SMILESCOc1cccc(CN(Cc2cccc(N3CCOCC3)c2)c2nc(C)c(CN3CCOCC3)o2)c1
InChIInChI=1S/C28H36N4O4/c1-22-27(21-30-9-13-34-14-10-30)36-28(29-22)32(20-24-6-4-8-26(18-24)33-2)19-23-5-3-7-25(17-23)31-11-15-35-16-12-31/h3-8,17-18H,9-16,19-21H2,1-2H3
InChIKeyMIVIFKJIKJLVBA-UHFFFAOYSA-N
XLogP3.87
TPSA63.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 167465265
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167466202
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167466247
N-[(3-methoxyphenyl)methyl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(morpholin-4-ylmethyl)aniline
CID 167465477
N-[(3-methoxyphenyl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
CID 167465735
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-oxazol-2-amine
CID 167465845
N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine
CID 167465454
N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline
CID 167465773
4-[[4-[(3-methoxyphenyl)methyl-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]methyl]piperazin-2-one
CID 167466092
N-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465874
N-[(3-methoxyphenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465345
N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 167465553

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine (CID 167465940) is N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine is COc1cccc(CN(Cc2cccc(N3CCOCC3)c2)c2nc(C)c(CN3CCOCC3)o2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine?
The InChIKey is MIVIFKJIKJLVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-22-27(21-30-9-13-34-14-10-30)36-28(29-22)32(20-24-6-4-8-26(18-24)33-2)19-23-5-3-7-25(17-23)31-11-15-35-16-12-31/h3-8,17-18H,9-16,19-21H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine?
N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine has a molecular weight of 492.62 g/mol, XLogP of 3.87, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 167465940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).