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

C23H23N5O3 — CID 10093415

IUPAC2-amino-N-methyl-N-[[2-[2-[4-(4-methyl-1,3-oxazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide
SMILESCc1coc(-c2ccc(Nc3ncc(-c4ccccc4CN(C)C(=O)CN)o3)cc2)n1
InChIInChI=1S/C23H23N5O3/c1-15-14-30-22(26-15)16-7-9-18(10-8-16)27-23-25-12-20(31-23)19-6-4-3-5-17(19)13-28(2)21(29)11-24/h3-10,12,14H,11,13,24H2,1-2H3,(H,25,27)
InChIKeyGBPVUIDBBYMXAL-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.97
Rot. Bonds7

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

2-amino-N-methyl-N-[[2-[2-[4-(4-methyl-1,3-oxazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide (PubChem CID 10093415) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[[2-[2-[4-(4-methyl-1,3-oxazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[[2-[2-[4-(4-methyl-1,3-oxazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide
PubChem CID10093415
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name2-amino-N-methyl-N-[[2-[2-[4-(4-methyl-1,3-oxazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide
SMILESCc1coc(-c2ccc(Nc3ncc(-c4ccccc4CN(C)C(=O)CN)o3)cc2)n1
InChIInChI=1S/C23H23N5O3/c1-15-14-30-22(26-15)16-7-9-18(10-8-16)27-23-25-12-20(31-23)19-6-4-3-5-17(19)13-28(2)21(29)11-24/h3-10,12,14H,11,13,24H2,1-2H3,(H,25,27)
InChIKeyGBPVUIDBBYMXAL-UHFFFAOYSA-N
XLogP3.97
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-methyl-N-[[2-[2-(naphthalen-1-ylamino)-1,3-oxazol-5-yl]phenyl]methyl]acetamide
CID 10385484
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CID 10025760
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-[[2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide
CID 10368518
N-methyl-N-[(2-methylphenyl)methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38036018
ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate
CID 139225247
2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine
CID 115022622
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51335973
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51092081
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 30533858

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[[2-[2-[4-(4-methyl-1,3-oxazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide?
The IUPAC name of 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) is 2-amino-N-methyl-N-[[2-[2-[4-(4-methyl-1,3-oxazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[[2-[2-[4-(4-methyl-1,3-oxazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-N-[[2-[2-[4-(4-methyl-1,3-oxazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide is Cc1coc(-c2ccc(Nc3ncc(-c4ccccc4CN(C)C(=O)CN)o3)cc2)n1.
What is the InChIKey of 2-amino-N-methyl-N-[[2-[2-[4-(4-methyl-1,3-oxazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide?
The InChIKey is GBPVUIDBBYMXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-15-14-30-22(26-15)16-7-9-18(10-8-16)27-23-25-12-20(31-23)19-6-4-3-5-17(19)13-28(2)21(29)11-24/h3-10,12,14H,11,13,24H2,1-2H3,(H,25,27).
What are the key properties of 2-amino-N-methyl-N-[[2-[2-[4-(4-methyl-1,3-oxazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide?
2-amino-N-methyl-N-[[2-[2-[4-(4-methyl-1,3-oxazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[[2-[2-[4-(4-methyl-1,3-oxazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 10093415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).