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

C28H36N4O3 — CID 167466202

IUPACN-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine
SMILESCOc1cccc(CN(Cc2cccc(N3CCCC3)c2)c2nc(CCN3CCOCC3)co2)c1
InChIInChI=1S/C28H36N4O3/c1-33-27-9-5-7-24(19-27)21-32(20-23-6-4-8-26(18-23)31-11-2-3-12-31)28-29-25(22-35-28)10-13-30-14-16-34-17-15-30/h4-9,18-19,22H,2-3,10-17,20-21H2,1H3
InChIKeyCXZYULXNNBYXDV-UHFFFAOYSA-N
MW476.62 g/mol
LogP4.36
Rot. Bonds10

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

N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine (PubChem CID 167466202) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine
PubChem CID167466202
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine
SMILESCOc1cccc(CN(Cc2cccc(N3CCCC3)c2)c2nc(CCN3CCOCC3)co2)c1
InChIInChI=1S/C28H36N4O3/c1-33-27-9-5-7-24(19-27)21-32(20-23-6-4-8-26(18-23)31-11-2-3-12-31)28-29-25(22-35-28)10-13-30-14-16-34-17-15-30/h4-9,18-19,22H,2-3,10-17,20-21H2,1H3
InChIKeyCXZYULXNNBYXDV-UHFFFAOYSA-N
XLogP4.36
TPSA54.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-oxazol-2-amine
CID 167465845
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167466247
N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine
CID 167465454
N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167465940
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 167465334
N-[(3-methoxyphenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465345
4-[2-[(3-methoxyphenyl)methoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-oxazol-2-amine
CID 167466170
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]-3-(piperidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465874
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
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine (CID 167466202) is N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine is COc1cccc(CN(Cc2cccc(N3CCCC3)c2)c2nc(CCN3CCOCC3)co2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine?
The InChIKey is CXZYULXNNBYXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-33-27-9-5-7-24(19-27)21-32(20-23-6-4-8-26(18-23)31-11-2-3-12-31)28-29-25(22-35-28)10-13-30-14-16-34-17-15-30/h4-9,18-19,22H,2-3,10-17,20-21H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine?
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine has a molecular weight of 476.62 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 167466202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).