amino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol

C21H25N5O3 — CID 90813547

IUPACamino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol
SMILESCOc1cccc(Nc2nc(C(N)O)c(-c3ccc(N4CCNCC4)cc3)o2)c1
InChIInChI=1S/C21H25N5O3/c1-28-17-4-2-3-15(13-17)24-21-25-18(20(22)27)19(29-21)14-5-7-16(8-6-14)26-11-9-23-10-12-26/h2-8,13,20,23,27H,9-12,22H2,1H3,(H,24,25)
InChIKeyIGMYERVJNDZTEX-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.45
Rot. Bonds6

About amino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol

amino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol (PubChem CID 90813547) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is amino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Nameamino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol
PubChem CID90813547
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Nameamino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol
SMILESCOc1cccc(Nc2nc(C(N)O)c(-c3ccc(N4CCNCC4)cc3)o2)c1
InChIInChI=1S/C21H25N5O3/c1-28-17-4-2-3-15(13-17)24-21-25-18(20(22)27)19(29-21)14-5-7-16(8-6-14)26-11-9-23-10-12-26/h2-8,13,20,23,27H,9-12,22H2,1H3,(H,24,25)
InChIKeyIGMYERVJNDZTEX-UHFFFAOYSA-N
XLogP2.45
TPSA108.81 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyanilino)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 59587579
5-(4-piperazin-1-ylphenyl)-2-(pyridin-3-ylamino)-1,3-oxazole-4-carboxamide
CID 59587463
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
7-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine
CID 24801484
6-N-(3-methoxyphenyl)-4-N,4-N-dimethyl-2-piperazin-1-ylpyrimidine-4,6-diamine
CID 68563369
2-N-(3-methoxyphenyl)-1,3-benzoxazole-2,5-diamine
CID 79884918
N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910966
3-[2-(3-methoxy-4-piperazin-1-ylanilino)-1,3-benzoxazol-7-yl]benzamide
CID 171348432
N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine
CID 52945478
6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3163546
N-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline
CID 11594764
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690

Frequently Asked Questions

What is the IUPAC name of amino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of amino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol (CID 90813547) is amino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for amino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for amino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol is COc1cccc(Nc2nc(C(N)O)c(-c3ccc(N4CCNCC4)cc3)o2)c1.
What is the InChIKey of amino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is IGMYERVJNDZTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-28-17-4-2-3-15(13-17)24-21-25-18(20(22)27)19(29-21)14-5-7-16(8-6-14)26-11-9-23-10-12-26/h2-8,13,20,23,27H,9-12,22H2,1H3,(H,24,25).
What are the key properties of amino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol?
amino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 395.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[2-(3-methoxyanilino)-5-(4-piperazin-1-ylphenyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 90813547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).