2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide

C24H25N5O3 — CID 10025760

IUPAC2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide
SMILESCCc1cc(Nc2ncc(-c3ccccc3CN(C)C(=O)CN)o2)ccc1-c1cnco1
InChIInChI=1S/C24H25N5O3/c1-3-16-10-18(8-9-20(16)21-12-26-15-31-21)28-24-27-13-22(32-24)19-7-5-4-6-17(19)14-29(2)23(30)11-25/h4-10,12-13,15H,3,11,14,25H2,1-2H3,(H,27,28)
InChIKeyLWKUDTKTZDCJQW-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.22
Rot. Bonds8

About 2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide

2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide (PubChem CID 10025760) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide
PubChem CID10025760
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide
SMILESCCc1cc(Nc2ncc(-c3ccccc3CN(C)C(=O)CN)o2)ccc1-c1cnco1
InChIInChI=1S/C24H25N5O3/c1-3-16-10-18(8-9-20(16)21-12-26-15-31-21)28-24-27-13-22(32-24)19-7-5-4-6-17(19)14-29(2)23(30)11-25/h4-10,12-13,15H,3,11,14,25H2,1-2H3,(H,27,28)
InChIKeyLWKUDTKTZDCJQW-UHFFFAOYSA-N
XLogP4.22
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[[2-[2-[3-methoxy-4-(2-methylprop-1-enyl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide
CID 10409889
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-amino-N-methyl-N-[[2-[2-[4-(4-methyl-1,3-oxazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide
CID 10093415
2-amino-N-methyl-N-[[2-[2-(naphthalen-1-ylamino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide
CID 10385484
2-amino-N-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide
CID 10368518
[3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate
CID 90973440
2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-1-methyl-1,2,4-triazol-1-ium-3-yl]acetamide
CID 90724983
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-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide
CID 22459719
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine
CID 10125842
2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide
CID 54453723
ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate
CID 139225247

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide (CID 10025760) is 2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide is CCc1cc(Nc2ncc(-c3ccccc3CN(C)C(=O)CN)o2)ccc1-c1cnco1.
What is the InChIKey of 2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide?
The InChIKey is LWKUDTKTZDCJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-3-16-10-18(8-9-20(16)21-12-26-15-31-21)28-24-27-13-22(32-24)19-7-5-4-6-17(19)14-29(2)23(30)11-25/h4-10,12-13,15H,3,11,14,25H2,1-2H3,(H,27,28).
What are the key properties of 2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide?
2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide has a molecular weight of 431.50 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[2-[3-ethyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 10025760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).