N-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide

C26H29N5O5 — CID 143318270

IUPACN-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide
SMILESCOc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CN3CCOCC3)o2)ccc1C1=CNCO1
InChIInChI=1S/C26H29N5O5/c1-30(25(32)16-31-9-11-34-12-10-31)21-6-4-3-5-19(21)24-15-28-26(36-24)29-18-7-8-20(22(13-18)33-2)23-14-27-17-35-23/h3-8,13-15,27H,9-12,16-17H2,1-2H3,(H,28,29)
InChIKeyKPDQLERBTURNQK-UHFFFAOYSA-N
MW491.55 g/mol
LogP3.26
Rot. Bonds8

About N-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide

N-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide (PubChem CID 143318270) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is N-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide
PubChem CID143318270
Molecular FormulaC26H29N5O5
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC NameN-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide
SMILESCOc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CN3CCOCC3)o2)ccc1C1=CNCO1
InChIInChI=1S/C26H29N5O5/c1-30(25(32)16-31-9-11-34-12-10-31)21-6-4-3-5-19(21)24-15-28-26(36-24)29-18-7-8-20(22(13-18)33-2)23-14-27-17-35-23/h3-8,13-15,27H,9-12,16-17H2,1-2H3,(H,28,29)
InChIKeyKPDQLERBTURNQK-UHFFFAOYSA-N
XLogP3.26
TPSA101.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide with MolForge

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Related Compounds

N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide
CID 22459719
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide
CID 67046571
2-amino-N-[[2-[2-[3-methoxy-4-(2-methylprop-1-enyl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide
CID 10409889
2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide
CID 54453723
2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide
CID 90820920
N-[2-(1-ethoxyethenyl)phenyl]-N-methyl-2-morpholin-4-ylacetamide
CID 70176279
4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide
CID 166108173
4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid
CID 166108164
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine
CID 10125842
methyl 5-[[5-[2-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-1,3-oxazol-2-yl]amino]-2-(1,3-oxazol-2-yl)benzoate
CID 67559861
2-(2-methoxyphenoxy)-N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]acetamide
CID 113025655
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine
CID 21137704

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide (CID 143318270) is N-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide is COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CN3CCOCC3)o2)ccc1C1=CNCO1.
What is the InChIKey of N-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide?
The InChIKey is KPDQLERBTURNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5/c1-30(25(32)16-31-9-11-34-12-10-31)21-6-4-3-5-19(21)24-15-28-26(36-24)29-18-7-8-20(22(13-18)33-2)23-14-27-17-35-23/h3-8,13-15,27H,9-12,16-17H2,1-2H3,(H,28,29).
What are the key properties of N-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide?
N-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide has a molecular weight of 491.55 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-methoxyanilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide is sourced from PubChem (CID 143318270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).